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CHEBI:121181 - 2-[[sulfanylidene-[[2,2,2-trichloro-1-[[(2-nitrophenyl)-oxomethyl]amino]ethyl]amino]methyl]amino]benzoic acid

ChEBI IDCHEBI:121181
ChEBI Name2-[[sulfanylidene-[[2,2,2-trichloro-1-[[(2-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)c1ccccc1NC(=S)NC(NC(=O)c1ccccc1[N+](=O)[O-])C(Cl)(Cl)Cl
InChIInChI=1S/C17H13Cl3N4O5S/c18-17(19,20)15(22-13(25)10-6-2-4-8-12(10)24(28)29)23-16(30)21-11-7-3-1-5-9(11)14(26)27/h1-8,15H,(H,22,25)(H,26,27)(H2,21,23,30)
InChIKeyLHCKTMKYCCLGFF-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[[sulfanylidene-[[2,2,2-trichloro-1-[[(2-nitrophenyl)-oxomethyl]amino]ethyl]amino]methyl]amino]benzoic acid (CHEBI:121181) is a thioureas (CHEBI:51276)
Manual XrefsDatabases
LSM-32624LINCS