EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:167776 - Methyl n-(4-methoxyphenyl)-[3-(trifluoromethyl)anilino]methanimidothioate

ChEBI IDCHEBI:167776
ChEBI NameMethyl n-(4-methoxyphenyl)-[3-(trifluoromethyl)anilino]methanimidothioate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H15F3N2OS
Net Charge0
Average Mass340.370
Monoisotopic Mass340.08572
SMILESCOc1ccc(/N=C(/Nc2cccc(C(F)(F)F)c2)SC)cc1
InChIInChI=1S/C16H15F3N2OS/c1-22-14-8-6-12(7-9-14)20-15(23-2)21-13-5-3-4-11(10-13)16(17,18)19/h3-10H,1-2H3,(H,20,21)
InChIKeyBBIFQXGLYXWQOA-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood serum (BTO:0000133) MetaboLights (MTBLS2542)
ChEBI Ontology
Outgoing Relation(s)
Methyl n-(4-methoxyphenyl)-[3-(trifluoromethyl)anilino]methanimidothioate (CHEBI:167776) is a (trifluoromethyl)benzenes (CHEBI:83565)
IUPAC Name 
methyl N'-(4-methoxyphenyl)-N-[3-(triluoromethyl)phenyl]carbamimidothioate
Manual XrefsDatabases
2083064ChemSpider