300532 <common-name>(3z)-1-(4-chlorophenyl)-3-(4-methyl-1,4-benzothiazin-3-ylidene)urea</common-name> <description>(3z)-1-(4-chlorophenyl)-3-(4-methyl-1,4-benzothiazin-3-ylidene)urea belongs to the benzothiazines, a class of organoheterocyclic compounds within the organic compounds. It has the chemical formula C16H14ClN3OS and an average molecular weight of 331.80 g/mol.</description> <cas>108176-78-9</cas> <pubchem-id>6510063</pubchem-id> <chemical-formula>C16H14ClN3OS</chemical-formula> <weight>331.8</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">2026-08-28T17:24:28Z</created-at> <updated-at type="dateTime">2026-08-28T17:24:28Z</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>CN1C(=NC(=O)NC2=CC=C(C=C2)Cl)CSC3=CC=CC=C31</moldb-smiles> <moldb-formula>C16H14ClN3OS</moldb-formula> <moldb-inchi>InChI=1S/C16H14ClN3OS/c1-20-13-4-2-3-5-14(13)22-10-15(20)19-16(21)18-12-8-6-11(17)7-9-12/h2-9H,10H2,1H3,(H,18,21)/b19-15-</moldb-inchi> <moldb-inchikey>WFIAJVCXMNILKJ-CYVLTUHYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">331.0546109</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>3.7</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>CHEM296425</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>(3z)-1-(4-chlorophenyl)-3-(4-methyl-1,4-benzothiazin-3-ylidene)urea</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>Benzothiazines</klass> <subklass nil="true"/> <paper-count type="integer" nil="true"/> <sync-id>CED0251801</sync-id> <structure-inchikey>WFIAJVCXMNILKJ-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>2000000000000000000000000000200040000000100000080000000000000000000000000000000000000000000040000000000000000000000000000000000000000400000000000000000000020000010000000000004400000000000000000010090000010401000000000000000020100040000000010000000000000000040020400800000000000004080000000000100000000000001000000000100000000800000000000080000000000000000000000000000000000000000000000000010000000000000010000008010000000000002000200800000000000008000000000000040004000000400000000000000000000000000000000</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�B������������� ��������������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:10:33Z</structure-indexed-at> </compound>