290724 <common-name>[[2-(3-bromoanilino)-4-nitrobenzoyl]amino]thiourea</common-name> <description>[[2-(3-bromoanilino)-4-nitrobenzoyl]amino]thiourea belongs to the benzoic acids and derivatives, a subclass of benzene and substituted derivatives within the organic compounds. It is a benzenoid with the chemical formula C14H12BrN5O3S and an average molecular weight of 410.25 g/mol.</description> <cas>195370-45-7</cas> <pubchem-id>5747688</pubchem-id> <chemical-formula>C14H12BrN5O3S</chemical-formula> <weight>410.25</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">2026-08-28T04:40:35Z</created-at> <updated-at type="dateTime">2026-08-28T04:40:35Z</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>C1=CC(=CC(=C1)Br)NC2=C(C=CC(=C2)[N+](=O)[O-])C(=O)NNC(=S)N</moldb-smiles> <moldb-formula>C14H12BrN5O3S</moldb-formula> <moldb-inchi>InChI=1S/C14H12BrN5O3S/c15-8-2-1-3-9(6-8)17-12-7-10(20(22)23)4-5-11(12)13(21)18-19-14(16)24/h1-7,17H,(H,18,21)(H3,16,19,24)</moldb-inchi> <moldb-inchikey>HTLNYQLRYTYDDJ-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">408.98442</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>3.3</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>CHEM286617</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-(3-bromoanilino)-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>CED0242327</sync-id> <structure-inchikey>HTLNYQLRYTYDDJ-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>1000000040020000000800000000000100000000000000000000000000000000004000000000000000080000000000000000001006100000000000000000000000000000000000080020000000000001101000800040400200000000010010000200000000100000000400000006000200000000000000000001000000000000800000200000000080001000001000000080000000000020000000000000000000000000080000000000000001000000000000000000000000000000000000000000000100000000000000000000000000000200000000000000420000000000000040000000000400000800001000000100000000000000</structure-fingerprint> 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