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

Systemtic Name: 3-(4-chlorophenyl)sulfanyl-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one Openeye Name: 3-(4-chlorophenyl)sulfanyl-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one CAS Name: 3-[(4-chlorophenyl)thio]-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1-propanone IUPAC Name: 3-(4-chlorophenyl)sulfanyl-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one Traditional Name: 3-[(4-chlorophenyl)thio]-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one Formula: C20H22ClNO3S MolecularWeight: 391.91158

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)C(=O)CCSC3=CC=C(C=C3)Cl)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)C(=O)CCSC3=CC=C(C=C3)Cl)OC

InChI

InChI=1S/C20H22ClNO3S/c1-24-18-11-14-7-9-22(13-15(14)12-19(18)25-2)20(23)8-10-26-17-5-3-16(21)4-6-17/h3-6,11-12H,7-10,13H2,1-2H3