330240 <common-name>[2-methoxy-4-[(e)-(phenylcarbamothioylhydrazinylidene)methyl]phenyl] 4-chlorobenzoate</common-name> <description>[2-methoxy-4-[(e)-(phenylcarbamothioylhydrazinylidene)methyl]phenyl] 4-chlorobenzoate is a chemical compound with the formula C22H18ClN3O3S. It has an average molecular weight of 439.90 g/mol.</description> <cas>350844-44-9</cas> <pubchem-id>40825761</pubchem-id> <chemical-formula>C22H18ClN3O3S</chemical-formula> <weight>439.9</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">2026-08-30T10:43:35Z</created-at> <updated-at type="dateTime">2026-08-30T10:43:35Z</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>COC1=C(C=CC(=C1)C=NNC(=S)NC2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)Cl</moldb-smiles> <moldb-formula>C22H18ClN3O3S</moldb-formula> <moldb-inchi>InChI=1S/C22H18ClN3O3S/c1-28-20-13-15(14-24-26-22(30)25-18-5-3-2-4-6-18)7-12-19(20)29-21(27)16-8-10-17(23)11-9-16/h2-14H,1H3,(H2,25,26,30)/b24-14+</moldb-inchi> <moldb-inchikey>ILAPVBQIJTXOPZ-ZVHZXABRSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">439.0757403</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>5.2</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>CHEM326133</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>[2-methoxy-4-[(e)-(phenylcarbamothioylhydrazinylidene)methyl]phenyl] 4-chlorobenzoate</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>Phenylpropanoids and polyketides</superklass> <klass>Depsides and depsidones</klass> <subklass nil="true"/> <paper-count type="integer" nil="true"/> <sync-id>CED0280793</sync-id> <structure-inchikey>ILAPVBQIJTXOPZ-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000000000000000240020000000040000000000100000880000000400000000000000602000000000000000004000000000000000000000000000000000000000000400000000002000000000020000000000321000004000000000000000000010080000040000080100000000000080200000000000000000000000000000040020400800000000000000090000000000100000000000400000000000000000000000000000000084000000000000800000040000000000000000080000000000000000000000000000000000010004000000040000200000000000000008008000000001040000000000400000000008020000000000000004000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ�������������������� ���€���`�������(������@(������@(������@h�������@h�������@(������@h��������h��������(�������h��������(�������(�������h�������@(������@h�������@h�������@h�������@h�������@h��������(�������(�������(������@(������@h�������@h�������@(������@h�������@h�������� ���������� ��h���h���h���h���h��� � (� � ��(�� � ��h���h���h���h���h��� �� ��(��� ��h���h���h���h���h������h���h���h�B�����������������������������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:32:51Z</structure-indexed-at> </compound>