296180 <common-name>[[2-(4-methylanilino)-4-nitrobenzoyl]amino]thiourea</common-name> <description nil="true"/> <cas nil="true"/> <pubchem-id>5747685</pubchem-id> <chemical-formula>C15H15N5O3S</chemical-formula> <weight>345.4</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">2026-08-28T12:17:32Z</created-at> <updated-at type="dateTime">2026-08-28T12:17:32Z</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=C(C=C1)NC2=C(C=CC(=C2)[N+](=O)[O-])C(=O)NNC(=S)N</moldb-smiles> <moldb-formula>C15H15N5O3S</moldb-formula> <moldb-inchi>InChI=1S/C15H15N5O3S/c1-9-2-4-10(5-3-9)17-13-8-11(20(22)23)6-7-12(13)14(21)18-19-15(16)24/h2-8,17H,1H3,(H,18,21)(H3,16,19,24)</moldb-inchi> <moldb-inchikey>QDWYJIFURJRLEN-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">345.0895605</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>3</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>CHEM292073</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-(4-methylanilino)-4-nitrobenzoyl]amino]thiourea</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>CED0247594</sync-id> <structure-inchikey>QDWYJIFURJRLEN-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>1000000040020000000800000000000100000000001000000000000000000000000000000000000000080000000000000000001002100000000000000000000000000000000000000020000000000000101000000040400000000000010010000210000000100000000000000006000200000000000000000000000040000000000000200000000080001000001000000080000000000020000000000000000000000000080000000000000001000000000000000000080000000000000000000000000000000000000000000000002000000200000000000000420100000000000040000000000480000800001000000100000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ������������������������€���`������@(������@h�������@h�������@(������@h�������@h��������h�������@(������@(������@h�������@h�������@(������@h������� *��������(������ *���ÿ����(�������(�������h��������h��������(�������(�������h������������h���h���h���h���h��� �� � h� h� �h���h�� h��� ��(��� � ��(��� ����� ��(��� ��h� �h�B������������ �� �����������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:07:29Z</structure-indexed-at> </compound>