313355 <common-name>5-[(4-butoxyphenyl)carbamothioylamino]-2-methoxybenzenesulfonic acid</common-name> <description>5-[(4-butoxyphenyl)carbamothioylamino]-2-methoxybenzenesulfonic acid is a chemical compound with the formula C18H22N2O5S2. It has an average molecular weight of 410.50 g/mol.</description> <cas nil="true"/> <pubchem-id>3038261</pubchem-id> <chemical-formula>C18H22N2O5S2</chemical-formula> <weight>410.5</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">2026-08-29T10:06:32Z</created-at> <updated-at type="dateTime">2026-08-29T10:06:32Z</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>CCCCOC1=CC=C(C=C1)NC(=S)NC2=CC(=C(C=C2)OC)S(=O)(=O)O</moldb-smiles> <moldb-formula>C18H22N2O5S2</moldb-formula> <moldb-inchi>InChI=1S/C18H22N2O5S2/c1-3-4-11-25-15-8-5-13(6-9-15)19-18(26)20-14-7-10-16(24-2)17(12-14)27(21,22)23/h5-10,12H,3-4,11H2,1-2H3,(H2,19,20,26)(H,21,22,23)</moldb-inchi> <moldb-inchikey>UKNTVRDTWPHGQA-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">410.0970142</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>CHEM309248</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>5-[(4-butoxyphenyl)carbamothioylamino]-2-methoxybenzenesulfonic acid</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>CED0264266</sync-id> <structure-inchikey>UKNTVRDTWPHGQA-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000000000000000800243020000000000000000008100000000000000400000000002000000200000020000000000800000000000000000000000000000000800000002000000018000000020000020000000000100000200000000000000000020010000000850000000100000000000000000000000000000000000000020000040000400000000000000000080000000000000000000000000000000000000000000000000000000080000000000000800080000080000000000000080000000000000000000000000000000000000000000000000000200000000000000008000000000000040000000010000000000008020000000002000000000</structure-fingerprint> 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