321025 <common-name>N-isoquinolin-6-yl-3,4,4a,5-tetrahydro-[1,3]thiazino[3,4-a]indol-1-imine</common-name> <description>N-isoquinolin-6-yl-3,4,4a,5-tetrahydro-[1,3]thiazino[3,4-a]indol-1-imine is a chemical compound with the formula C20H17N3S. It has an average molecular weight of 331.40 g/mol.</description> <cas>76953-85-0</cas> <pubchem-id>3059659</pubchem-id> <chemical-formula>C20H17N3S</chemical-formula> <weight>331.4</weight> <appearance nil="true"/> <melting-point nil="true"/> <boiling-point nil="true"/> <density nil="true"/> <solubility nil="true"/> <specific-gravity nil="true"/> <flash-point nil="true"/> <vapour-pressure nil="true"/> <route-of-exposure nil="true"/> <target nil="true"/> <mechanism-of-toxicity nil="true"/> <metabolism nil="true"/> <toxicity nil="true"/> <lethaldose nil="true"/> <carcinogenicity nil="true"/> <use-source nil="true"/> <min-risk-level nil="true"/> <health-effects nil="true"/> <symptoms nil="true"/> <treatment nil="true"/> <created-at type="dateTime">2026-08-29T20:13:45Z</created-at> <updated-at type="dateTime">2026-08-29T20:13:45Z</updated-at> <interacting-proteins nil="true"/> <wikipedia nil="true"/> <uniprot-id nil="true"/> <kegg-compound-id nil="true"/> <omim-id nil="true"/> <chebi-id nil="true"/> <biocyc-id nil="true"/> <ctd-id nil="true"/> <stitch-id nil="true"/> <drugbank-id nil="true"/> <pdb-id nil="true"/> <actor-id nil="true"/> <organism nil="true"/> <export type="boolean">true</export> <metabolizing-proteins nil="true"/> <transporting-proteins nil="true"/> <moldb-smiles>C1CSC(=NC2=CC3=C(C=C2)C=NC=C3)N4C1CC5=CC=CC=C54</moldb-smiles> <moldb-formula>C20H17N3S</moldb-formula> <moldb-inchi>InChI=1S/C20H17N3S/c1-2-4-19-15(3-1)12-18-8-10-24-20(23(18)19)22-17-6-5-16-13-21-9-7-14(16)11-17/h1-7,9,11,13,18H,8,10,12H2</moldb-inchi> <moldb-inchikey>OXOIREPEMSQEFB-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">331.1143187</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>4.5</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id nil="true"/> <structure-image-file-name nil="true"/> <structure-image-content-type nil="true"/> <structure-image-file-size type="integer" nil="true"/> <structure-image-updated-at type="dateTime" nil="true"/> <biodb-id nil="true"/> <synthesis-reference nil="true"/> <structure-image-caption nil="true"/> <chemdb-id>CHEM316918</chemdb-id> <dsstox-id nil="true"/> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id nil="true"/> <iupac>N-isoquinolin-6-yl-3,4,4a,5-tetrahydro-[1,3]thiazino[3,4-a]indol-1-imine</iupac> <moldb-polar-surface-area nil="true"/> <moldb-refractivity nil="true"/> <moldb-polarizability nil="true"/> <moldb-rotatable-bond-count nil="true"/> <moldb-acceptor-count nil="true"/> <moldb-donor-count nil="true"/> <moldb-pka-strongest-acidic nil="true"/> <moldb-pka-strongest-basic nil="true"/> <moldb-physiological-charge nil="true"/> <moldb-number-of-rings nil="true"/> <moldb-alogps-logp nil="true"/> <moldb-alogps-logs nil="true"/> <moldb-alogps-solubility nil="true"/> <kingdom>Organic compounds</kingdom> <superklass>Organoheterocyclic compounds</superklass> <klass>Quinolines and derivatives</klass> <subklass>Aminoquinolines and derivatives</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0271751</sync-id> <structure-inchikey>OXOIREPEMSQEFB-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>400000000000000040000000000300000010000000000000000000000200000000000002000000000200000000000000000000000000000000000010000000800000000000000000010000000000404000000000000000400000000000000000000100000000000020100000000000000000000100000000000000000800000000000000000000000000100800000080004000000000100000004000000020000080000000020000004000000000000000000000100000000000020001000000008012000000000000008004000000204000040000000010000000003002040000000020060000000008000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAYAAAAHAAAAIABBgBgAAAAAgIGAGAAAAAC AhAAIAAAAAIGACgAAAADBAcAKAAAAAMDBkAoAAAAAwQGQGgAAAADAwEGQCgA AAADBAZAKAAAAAMEBkBoAAAAAwMBBkBoAAAAAwMBBkBoAAAAAwMBB0AoAAAA AwMGQGgAAAADAwEGQGgAAAADAwEHACgAAAADAwYAYAAAAAMBBgBgAAAAAgIG QCgAAAADBAZAaAAAAAMDAQZAaAAAAAMDAQZAaAAAAAMDAQZAaAAAAAMDAQZA KAAAAAMECwABAAECAAIDAAMEKAIEBSAFBmgMBgdoDAcIaAwICWgMCQpoDAgL aAwLDGgMDA1oDA0OaAwDDyAPEAAQEQAREgASE2gMExRoDBQVaAwVFmgMFhdo DBAAAAoFaAwOB2gMFw8gFxJoDEIFAAAABgAQDwMCAQYGBwgJCgUGCwwNDgcI BREQDxcSBhMUFRYXEhcEAAAAAAAAABY= </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:26:00Z</structure-indexed-at> </compound>