N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1-methylpyrrol-2-yl)ethyl]-2-methylsulfanyl-benzamide

Systemtic Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1-methylpyrrol-2-yl)ethyl]-2-methylsulfanyl-benzamide Openeye Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1-methylpyrrol-2-yl)ethyl]-2-methylsulfanyl-benzamide CAS Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1-methyl-2-pyrrolyl)ethyl]-2-(methylthio)benzamide IUPAC Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1-methylpyrrol-2-yl)ethyl]-2-methylsulfanylbenzamide Traditional Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1-methylpyrrol-2-yl)ethyl]-2-(methylthio)benzamide Formula: C24H27N3OS MolecularWeight: 405.55568

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C(CNC(=O)C2=CC=CC=C2SC)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CN1C=CC=C1C(CNC(=O)C2=CC=CC=C2SC)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C24H27N3OS/c1-26-14-7-11-21(26)22(27-15-13-18-8-3-4-9-19(18)17-27)16-25-24(28)20-10-5-6-12-23(20)29-2/h3-12,14,22H,13,15-17H2,1-2H3,(H,25,28)