1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-6-(3,4-dimethoxyphenyl)-6-(4-methylphenyl)sulfanyl-octan-1-one

Systemtic Name: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-6-(3,4-dimethoxyphenyl)-6-(4-methylphenyl)sulfanyl-octan-1-one Openeye Name: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-6-(3,4-dimethoxyphenyl)-6-(p-tolylsulfanyl)octan-1-one CAS Name: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-6-(3,4-dimethoxyphenyl)-6-[(4-methylphenyl)thio]-1-octanone IUPAC Name: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-6-(3,4-dimethoxyphenyl)-6-(4-methylphenyl)sulfanyloctan-1-one Traditional Name: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-6-(3,4-dimethoxyphenyl)-6-(p-tolylthio)octan-1-one Formula: C34H43NO5S MolecularWeight: 577.77392

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CCCCC(=O)N1CCC2=CC(=C(C=C2C1)OC)OC)(C3=CC(=C(C=C3)OC)OC)SC4=CC=C(C=C4)C

Isomeric SMILES

CCC(CCCCC(=O)N1CCC2=CC(=C(C=C2C1)OC)OC)(C3=CC(=C(C=C3)OC)OC)SC4=CC=C(C=C4)C

InChI

InChI=1S/C34H43NO5S/c1-7-34(41-28-14-11-24(2)12-15-28,27-13-16-29(37-3)32(22-27)40-6)18-9-8-10-33(36)35-19-17-25-20-30(38-4)31(39-5)21-26(25)23-35/h11-16,20-22H,7-10,17-19,23H2,1-6H3