1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-phenylsulfanyl-propan-1-one

Systemtic Name: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-phenylsulfanyl-propan-1-one Openeye Name: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-phenylsulfanyl-propan-1-one CAS Name: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(phenylthio)-1-propanone IUPAC Name: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-phenylsulfanylpropan-1-one Traditional Name: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(phenylthio)propan-1-one Formula: C20H23NO3S MolecularWeight: 357.46652

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCC2=CC(=C(C=C2C1)OC)OC)SC3=CC=CC=C3

Isomeric SMILES

CC(C(=O)N1CCC2=CC(=C(C=C2C1)OC)OC)SC3=CC=CC=C3

InChI

InChI=1S/C20H23NO3S/c1-14(25-17-7-5-4-6-8-17)20(22)21-10-9-15-11-18(23-2)19(24-3)12-16(15)13-21/h4-8,11-12,14H,9-10,13H2,1-3H3