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CHEBI:114988 - 3-[[sulfanylidene-[[2,2,2-trichloro-1-[[(3-nitrophenyl)-oxomethyl]amino]ethyl]amino]methyl]amino]benzoic acid

ChEBI IDCHEBI:114988
ChEBI Name3-[[sulfanylidene-[[2,2,2-trichloro-1-[[(3-nitrophenyl)-oxomethyl]amino]ethyl]amino]methyl]amino]benzoic acid
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DownloadsMolfile
FormulaC17H13Cl3N4O5S
Net Charge0
Average Mass491.740
Monoisotopic Mass489.96722
SMILESO=C(O)c1cccc(NC(=S)NC(NC(=O)c2cccc([N+](=O)[O-])c2)C(Cl)(Cl)Cl)c1
InChIInChI=1S/C17H13Cl3N4O5S/c18-17(19,20)15(22-13(25)9-3-2-6-12(8-9)24(28)29)23-16(30)21-11-5-1-4-10(7-11)14(26)27/h1-8,15H,(H,22,25)(H,26,27)(H2,21,23,30)
InChIKeyGPWHVVCHKQBJTJ-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
3-[[sulfanylidene-[[2,2,2-trichloro-1-[[(3-nitrophenyl)-oxomethyl]amino]ethyl]amino]methyl]amino]benzoic acid (CHEBI:114988) is a thioureas (CHEBI:51276)
Manual XrefsDatabases
LSM-26450LINCS