EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:122014 - 4-[[(3,4-dimethoxyphenyl)methyl-[(4-methylanilino)-sulfanylidenemethyl]amino]methyl]benzoic acid

ChEBI IDCHEBI:122014
ChEBI Name4-[[(3,4-dimethoxyphenyl)methyl-[(4-methylanilino)-sulfanylidenemethyl]amino]methyl]benzoic acid
Stars
DownloadsMolfile
FormulaC25H26N2O4S
Net Charge0
Average Mass450.560
Monoisotopic Mass450.16133
SMILESCOc1ccc(CN(Cc2ccc(C(=O)O)cc2)C(=S)Nc2ccc(C)cc2)cc1OC
InChIInChI=1S/C25H26N2O4S/c1-17-4-11-21(12-5-17)26-25(32)27(15-18-6-9-20(10-7-18)24(28)29)16-19-8-13-22(30-2)23(14-19)31-3/h4-14H,15-16H2,1-3H3,(H,26,32)(H,28,29)
InChIKeyYXXZISODYHJJAV-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
4-[[(3,4-dimethoxyphenyl)methyl-[(4-methylanilino)-sulfanylidenemethyl]amino]methyl]benzoic acid (CHEBI:122014) is a thioureas (CHEBI:51276)
Manual XrefsDatabases
LSM-33457LINCS