320826 <common-name>4-[[(5e)-4-oxo-5-[(e)-3-phenylprop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]methylamino]benzoic acid</common-name> <description>4-[[(5e)-4-oxo-5-[(e)-3-phenylprop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]methylamino]benzoic acid is a chemical compound with the formula C20H16N2O3S2. It has an average molecular weight of 396.50 g/mol.</description> <cas>86650-15-9</cas> <pubchem-id>6448365</pubchem-id> <chemical-formula>C20H16N2O3S2</chemical-formula> <weight>396.5</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">2026-08-29T19:58:05Z</created-at> <updated-at type="dateTime">2026-08-29T19:58:05Z</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>C1=CC=C(C=C1)C=CC=C2C(=O)N(C(=S)S2)CNC3=CC=C(C=C3)C(=O)O</moldb-smiles> <moldb-formula>C20H16N2O3S2</moldb-formula> <moldb-inchi>InChI=1S/C20H16N2O3S2/c23-18-17(8-4-7-14-5-2-1-3-6-14)27-20(26)22(18)13-21-16-11-9-15(10-12-16)19(24)25/h1-12,21H,13H2,(H,24,25)/b7-4+,17-8+</moldb-inchi> <moldb-inchikey>HWSFGEAZFKCFHO-AQHRCUNFSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">396.0602347</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>4.9</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>CHEM316719</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>4-[[(5e)-4-oxo-5-[(e)-3-phenylprop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]methylamino]benzoic acid</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>Benzenoids</superklass> <klass>Benzene and substituted derivatives</klass> <subklass>Benzoic acids and derivatives</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0271555</sync-id> <structure-inchikey>HWSFGEAZFKCFHO-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>20000800040200000000000000000004100000100000000000000400080000020000000000000000004000000000080000080000000080000000000000000000000080000000000000020000010000200000000000000000000000000010000001010000000030020000000000100100000000000000000000000000000000000808000000000200080000000000100000040000000000000000000000000000000400000084000000080000020000080000000000000000000000000000000000000000000400000000000004000040000000200000000000000000000000000000040000000800400000000000000000000000000044008</structure-fingerprint> 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