EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:105082 - N-(4-methoxyphenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide

ChEBI IDCHEBI:105082
ChEBI NameN-(4-methoxyphenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide
Stars
DownloadsMolfile
FormulaC17H18N2OS
Net Charge0
Average Mass298.411
Monoisotopic Mass298.11398
SMILESCOc1ccc(NC(=S)N2CCc3ccccc3C2)cc1
InChIInChI=1S/C17H18N2OS/c1-20-16-8-6-15(7-9-16)18-17(21)19-11-10-13-4-2-3-5-14(13)12-19/h2-9H,10-12H2,1H3,(H,18,21)
InChIKeyFRINAVHAQPHEQI-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
N-(4-methoxyphenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide (CHEBI:105082) is a isoquinolines (CHEBI:24922)
Manual XrefsDatabases
LSM-16445LINCS