EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:105238 - 2-[(4-cyano-1-methyl-5,6,7,8-tetrahydroisoquinolin-3-yl)thio]-N-(3-ethoxyphenyl)acetamide

ChEBI IDCHEBI:105238
ChEBI Name2-[(4-cyano-1-methyl-5,6,7,8-tetrahydroisoquinolin-3-yl)thio]-N-(3-ethoxyphenyl)acetamide
Stars
DownloadsMolfile
FormulaC21H23N3O2S
Net Charge0
Average Mass381.501
Monoisotopic Mass381.15110
SMILESCCOc1cccc(NC(=O)CSc2nc(C)c3c(c2C#N)CCCC3)c1
InChIInChI=1S/C21H23N3O2S/c1-3-26-16-8-6-7-15(11-16)24-20(25)13-27-21-19(12-22)18-10-5-4-9-17(18)14(2)23-21/h6-8,11H,3-5,9-10,13H2,1-2H3,(H,24,25)
InChIKeyLPEJECVDLDVRQG-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[(4-cyano-1-methyl-5,6,7,8-tetrahydroisoquinolin-3-yl)thio]-N-(3-ethoxyphenyl)acetamide (CHEBI:105238) is a anilide (CHEBI:13248)
Manual XrefsDatabases
LSM-16601LINCS