305340 <common-name>N-[2,2,2-trichloro-1-[(2,6-dibromo-4-methoxyphenyl)carbamothioylamino]ethyl]benzamide</common-name> <description>N-[2,2,2-trichloro-1-[(2,6-dibromo-4-methoxyphenyl)carbamothioylamino]ethyl]benzamide belongs to the n-phenylthioureas, a subclass of benzene and substituted derivatives within the organic compounds. It is categorized under the superclass of benzenoids and has the formula C17H14Br2Cl3N3O2S. With an average molecular weight of 590.50 g/mol, N-[2,2,2-trichloro-1-[(2,6-dibromo-4-methoxyphenyl)carbamothioylamino]ethyl]benzamide is a heavy molecule.</description> <cas>303063-10-7</cas> <pubchem-id>4051407</pubchem-id> <chemical-formula>C17H14Br2Cl3N3O2S</chemical-formula> <weight>590.5</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">2026-08-28T22:53:39Z</created-at> <updated-at type="dateTime">2026-08-28T22:53:39Z</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)Br)NC(=S)NC(C(Cl)(Cl)Cl)NC(=O)C2=CC=CC=C2)Br</moldb-smiles> <moldb-formula>C17H14Br2Cl3N3O2S</moldb-formula> <moldb-inchi>InChI=1S/C17H14Br2Cl3N3O2S/c1-27-10-7-11(18)13(12(19)8-10)23-16(28)25-15(17(20,21)22)24-14(26)9-5-3-2-4-6-9/h2-8,15H,1H3,(H,24,26)(H2,23,25,28)</moldb-inchi> <moldb-inchikey>NBHNRUCLHMZQDR-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">586.82391</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>5.9</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>CHEM301233</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-[2,2,2-trichloro-1-[(2,6-dibromo-4-methoxyphenyl)carbamothioylamino]ethyl]benzamide</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>CED0256444</sync-id> <structure-inchikey>NBHNRUCLHMZQDR-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>4000000000000000000000004802240000000000000100000000000000040000000000000000000020000000000000040400000000000000000000000200000000000000000200000000000000004000002000000000010000000080000002000004000011000000404000000010000000000000000000000000000000000000000000004000000080020000000000008000000000010000a000000000000000000000080000000000000000084000000800000800000000000000000000000080000000000000000000000500000000400010000000000000000200000000000000008000000000000040000000000400000000000000004000000000000000</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�B����������������������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:14:07Z</structure-indexed-at> </compound>