321003 <common-name>[1-[(e)-(carbamothioylhydrazinylidene)methyl]naphthalen-2-yl] 4-methoxybenzoate</common-name> <description>[1-[(e)-(carbamothioylhydrazinylidene)methyl]naphthalen-2-yl] 4-methoxybenzoate is a chemical compound with the formula C20H17N3O3S. It has an average molecular weight of 379.40 g/mol.</description> <cas>769153-26-6</cas> <pubchem-id>9636454</pubchem-id> <chemical-formula>C20H17N3O3S</chemical-formula> <weight>379.4</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">2026-08-29T20:11:40Z</created-at> <updated-at type="dateTime">2026-08-29T20:11:40Z</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=CC=C(C=C1)C(=O)OC2=C(C3=CC=CC=C3C=C2)C=NNC(=S)N</moldb-smiles> <moldb-formula>C20H17N3O3S</moldb-formula> <moldb-inchi>InChI=1S/C20H17N3O3S/c1-25-15-9-6-14(7-10-15)19(24)26-18-11-8-13-4-2-3-5-16(13)17(18)12-22-23-20(21)27/h2-12H,1H3,(H3,21,23,27)/b22-12+</moldb-inchi> <moldb-inchikey>VARAIMDQPBKJPR-WSDLNYQXSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">379.0990626</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>3.8</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>CHEM316896</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>[1-[(e)-(carbamothioylhydrazinylidene)methyl]naphthalen-2-yl] 4-methoxybenzoate</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>CED0271729</sync-id> <structure-inchikey>VARAIMDQPBKJPR-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>240020000000840000000000000100800000000000000000000000202200000020000000000000000000040000000000000000000000000000000000000000002000000000020000000000300000204000000000000040000010000010040000080000000000000080004000000000000000000000000000040000001800080000000000080001000000100000000000000000000000000000200000000040000086000000000000000000000000000008000100080000000040000000000000000000000000000004000000040000200000000000000000000000001001040000000000400000000000120000000000000000000</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�B������������� ���������� ����������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:25:59Z</structure-indexed-at> </compound>