1-[(3S)-3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-2-phenylsulfanyl-ethanone

Systemtic Name: 1-[(3S)-3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-2-phenylsulfanyl-ethanone Openeye Name: 1-[(3S)-3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1-piperidyl]-2-phenylsulfanyl-ethanone CAS Name: 1-[(3S)-3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1-piperidinyl]-2-(phenylthio)ethanone IUPAC Name: 1-[(3S)-3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-2-phenylsulfanylethanone Traditional Name: 1-[(3S)-3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)piperidino]-2-(phenylthio)ethanone Formula: C24H30N2O3S MolecularWeight: 426.5716

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)C3CCCN(C3)C(=O)CSC4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)[C@H]3CCCN(C3)C(=O)CSC4=CC=CC=C4)OC

InChI

InChI=1S/C24H30N2O3S/c1-28-22-13-18-10-12-25(15-19(18)14-23(22)29-2)20-7-6-11-26(16-20)24(27)17-30-21-8-4-3-5-9-21/h3-5,8-9,13-14,20H,6-7,10-12,15-17H2,1-2H3/t20-/m0/s1