327417 <common-name>N-methyl-n-[2-[(2-methylphenyl)carbamothioylamino]cyclopentyl]-2-nitrobenzamide</common-name> <description nil="true"/> <cas nil="true"/> <pubchem-id>3033639</pubchem-id> <chemical-formula>C21H24N4O3S</chemical-formula> <weight>412.5</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">2026-08-30T06:28:34Z</created-at> <updated-at type="dateTime">2026-08-30T06:28:34Z</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>CC1=CC=CC=C1NC(=S)NC2CCCC2N(C)C(=O)C3=CC=CC=C3[N+](=O)[O-]</moldb-smiles> <moldb-formula>C21H24N4O3S</moldb-formula> <moldb-inchi>InChI=1S/C21H24N4O3S/c1-14-8-3-5-10-16(14)22-21(29)23-17-11-7-13-19(17)24(2)20(26)15-9-4-6-12-18(15)25(27)28/h3-6,8-10,12,17,19H,7,11,13H2,1-2H3,(H2,22,23,29)</moldb-inchi> <moldb-inchikey>HVCHKGBTVIVBRD-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">412.1569118</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>3.9</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>CHEM323310</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>N-methyl-n-[2-[(2-methylphenyl)carbamothioylamino]cyclopentyl]-2-nitrobenzamide</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>N-phenylthioureas</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0278024</sync-id> <structure-inchikey>HVCHKGBTVIVBRD-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>80000000000000040020000000000000800000000000000000000000000000000000000000000002000010010000020000000000000000000000000000100000000800000000000000000000020200000080000001800000000400000000000010000400200000000004000000000024000000000000000000000100800000041000000800000000000000080100000001100000480400000000000000040000014000000000000080100900000000801000000000100000000000000000000000000000000000000000000000000008000002000000200000000000000008000000000000040000000000400000000001000000101000000000800</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�������@(������ *��������(������ *���ÿ��������h���h���h���h���h��� �� � (�� ������ � ������������� ��(��� ��h���h���h���h���h��� ��(��� ��h������h�B���������������� �����������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:30:46Z</structure-indexed-at> </compound>