326606 <common-name>[3-[(e)-(cyclohexylcarbamothioylhydrazinylidene)methyl]phenyl] 4-chlorobenzoate</common-name> <description>[3-[(e)-(cyclohexylcarbamothioylhydrazinylidene)methyl]phenyl] 4-chlorobenzoate is a compound with the formula C21H22ClN3O2S. It has an average molecular weight of 415.90 g/mol.</description> <cas>769150-98-3</cas> <pubchem-id>9664510</pubchem-id> <chemical-formula>C21H22ClN3O2S</chemical-formula> <weight>415.9</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">2026-08-30T04:59:17Z</created-at> <updated-at type="dateTime">2026-08-30T04:59:17Z</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>C1CCC(CC1)NC(=S)NN=CC2=CC(=CC=C2)OC(=O)C3=CC=C(C=C3)Cl</moldb-smiles> <moldb-formula>C21H22ClN3O2S</moldb-formula> <moldb-inchi>InChI=1S/C21H22ClN3O2S/c22-17-11-9-16(10-12-17)20(26)27-19-8-4-5-15(13-19)14-23-25-21(28)24-18-6-2-1-3-7-18/h4-5,8-14,18H,1-3,6-7H2,(H2,24,25,28)/b23-14+</moldb-inchi> <moldb-inchikey>OZZOPZJRIDHLFB-OEAKJJBVSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">415.1121258</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>5.4</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>CHEM322499</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>[3-[(e)-(cyclohexylcarbamothioylhydrazinylidene)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>CED0277224</sync-id> <structure-inchikey>OZZOPZJRIDHLFB-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>200000000000000000000000400200000000400000000000000008800000000000000000000004022000000000000000100000000008000000002000000000000000000000106000000000020000000000200000000003200000040000000000000000000100800000000000a01000200000000a0000000000000000000000100801000000020000800000000000000090000000000000000000000000000000000000000004000000400000084000000000000800000000000000400000000000000000000000000000000020000100000010004000000040000200000000000000000000000000001040000000000400000000000000000020000000004000</structure-fingerprint> 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