N-[2-(2-methylpropanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2-(phenylmethylsulfanyl)ethanamide

Systemtic Name: N-[2-(2-methylpropanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2-(phenylmethylsulfanyl)ethanamide Openeye Name: 2-benzylsulfanyl-N-[2-(2-methylpropanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]acetamide CAS Name: N-[2-(2-methyl-1-oxopropyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2-(phenylmethylthio)acetamide IUPAC Name: 2-benzylsulfanyl-N-[2-(2-methylpropanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]acetamide Traditional Name: 2-(benzylthio)-N-(2-isobutyryl-3,4-dihydro-1H-isoquinolin-7-yl)acetamide Formula: C22H26N2O2S MolecularWeight: 382.51904

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N1CCC2=C(C1)C=C(C=C2)NC(=O)CSCC3=CC=CC=C3

Isomeric SMILES

CC(C)C(=O)N1CCC2=C(C1)C=C(C=C2)NC(=O)CSCC3=CC=CC=C3

InChI

InChI=1S/C22H26N2O2S/c1-16(2)22(26)24-11-10-18-8-9-20(12-19(18)13-24)23-21(25)15-27-14-17-6-4-3-5-7-17/h3-9,12,16H,10-11,13-15H2,1-2H3,(H,23,25)