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CHEBI:113021 - 2-chloro-5-[[[[(3,5-dimethoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid

Default Structure
ChEBI IDCHEBI:113021
ChEBI Name2-chloro-5-[[[[(3,5-dimethoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid
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FormulaC17H15ClN2O5S
Net Charge0
Average Mass394.836
Monoisotopic Mass394.03902
SMILESCOc1cc(OC)cc(C(=O)NC(=S)Nc2ccc(Cl)c(C(=O)O)c2)c1
InChIInChI=1S/C17H15ClN2O5S/c1-24-11-5-9(6-12(8-11)25-2)15(21)20-17(26)19-10-3-4-14(18)13(7-10)16(22)23/h3-8H,1-2H3,(H,22,23)(H2,19,20,21,26)
InChIKeyBDWJQTNJPVRXKT-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
2-chloro-5-[[[[(3,5-dimethoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid (CHEBI:113021) is a thioureas (CHEBI:51276)
Manual XrefsDatabases
LSM-24431LINCS