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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)C(=O)CCSC3=CC=CC=C3Cl)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)C(=O)CCSC3=CC=CC=C3Cl)OC

InChI

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