EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:121184 - 2-[[sulfanylidene-[[2,2,2-trichloro-1-[(1-oxo-2-phenoxyethyl)amino]ethyl]amino]methyl]amino]benzoic acid

ChEBI IDCHEBI:121184
ChEBI Name2-[[sulfanylidene-[[2,2,2-trichloro-1-[(1-oxo-2-phenoxyethyl)amino]ethyl]amino]methyl]amino]benzoic acid
Stars
DownloadsMolfile
FormulaC18H16Cl3N3O4S
Net Charge0
Average Mass476.769
Monoisotopic Mass474.99271
SMILESO=C(COc1ccccc1)NC(NC(=S)Nc1ccccc1C(=O)O)C(Cl)(Cl)Cl
InChIInChI=1S/C18H16Cl3N3O4S/c19-18(20,21)16(23-14(25)10-28-11-6-2-1-3-7-11)24-17(29)22-13-9-5-4-8-12(13)15(26)27/h1-9,16H,10H2,(H,23,25)(H,26,27)(H2,22,24,29)
InChIKeyBNVBSMSTBHBPOG-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[[sulfanylidene-[[2,2,2-trichloro-1-[(1-oxo-2-phenoxyethyl)amino]ethyl]amino]methyl]amino]benzoic acid (CHEBI:121184) is a thioureas (CHEBI:51276)
Manual XrefsDatabases
LSM-32627LINCS