326586 <common-name>Butyl 4-[(1-benzamido-2,2,2-trichloroethyl)carbamothioylamino]benzoate</common-name> <description>Butyl 4-[(1-benzamido-2,2,2-trichloroethyl)carbamothioylamino]benzoate is a chemical compound with the formula C21H22Cl3N3O3S. With an average molecular weight of 502.80 g/mol, Butyl 4-[(1-benzamido-2,2,2-trichloroethyl)carbamothioylamino]benzoate is a heavy molecule.</description> <cas>303062-61-5</cas> <pubchem-id>4110088</pubchem-id> <chemical-formula>C21H22Cl3N3O3S</chemical-formula> <weight>502.8</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">2026-08-30T04:57:40Z</created-at> <updated-at type="dateTime">2026-08-30T04:57:40Z</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>CCCCOC(=O)C1=CC=C(C=C1)NC(=S)NC(C(Cl)(Cl)Cl)NC(=O)C2=CC=CC=C2</moldb-smiles> <moldb-formula>C21H22Cl3N3O3S</moldb-formula> <moldb-inchi>InChI=1S/C21H22Cl3N3O3S/c1-2-3-13-30-18(29)15-9-11-16(12-10-15)25-20(31)27-19(21(22,23)24)26-17(28)14-7-5-4-6-8-14/h4-12,19H,2-3,13H2,1H3,(H,26,28)(H2,25,27,31)</moldb-inchi> <moldb-inchikey>UNCSVAPMPNCVMB-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">501.044746</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>5.6</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>CHEM322479</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>Butyl 4-[(1-benzamido-2,2,2-trichloroethyl)carbamothioylamino]benzoate</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>CED0277204</sync-id> <structure-inchikey>UNCSVAPMPNCVMB-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40040000000000000000800048022400000050000001000100000000000400000000000002000000000000000000000004000000000000000000000002000000000000000002000000010002000000000020000000000100000200000000000000000020110000000010000000000000000000000000000000000000000000000000000040000400800200000000000080000000000100000000000000000000000000080000000000000000084000000800000800000000000000000000200000000000000000800000000400000000400010004000000002000200000000000000008000000000000040000000010400000000008000004000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAfAAAAIAAAAIABBgBgAAAAAQMGAGAAAAAC AgYAYAAAAAICBgBgAAAAAgIIACgAAAADAgYAKAAAAAMECAAoAAAAAwIGQCgA AAADBAZAaAAAAAMDAQZAaAAAAAMDAQZAKAAAAAMEBkBoAAAAAwMBBkBoAAAA AwMBBwBoAAAAAwIBBgAoAAAAAwQQACgAAAADAgcAaAAAAAMCAQYAYAAAAAMB BgAgAAAABBEAIAAAAAERACAAAAABEQAgAAAAAQcAaAAAAAMCAQYAKAAAAAME CAAoAAAAAwIGQCgAAAADBAZAaAAAAAMDAQZAaAAAAAMDAQZAaAAAAAMDAQZA aAAAAAMDAQZAaAAAAAMDAQsAAQABAgACAwADBAAEBSAFBigCBQcgBwhoDAgJ aAwJCmgMCgtoDAsMaAwKDSANDiAODygCDhAgEBEAERIAEhMAEhQAEhUAERYA FhcgFxgoAhcZIBkaaAwaG2gMGxxoDBwdaAwdHmgMDAdoDB4ZaAxCAgAAAAYH DAsKCQgGGhscHR4ZFwQAAAAAAAAAFg== </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:30:12Z</structure-indexed-at> </compound>