2-[4-(2,5-dimethoxyphenyl)-6-(4-methylphenyl)sulfanyl-octyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline

Systemtic Name: 2-[4-(2,5-dimethoxyphenyl)-6-(4-methylphenyl)sulfanyl-octyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline Openeye Name: 2-[4-(2,5-dimethoxyphenyl)-6-(p-tolylsulfanyl)octyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline CAS Name: 2-[4-(2,5-dimethoxyphenyl)-6-[(4-methylphenyl)thio]octyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline IUPAC Name: 2-[4-(2,5-dimethoxyphenyl)-6-(4-methylphenyl)sulfanyloctyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline Traditional Name: 2-[4-(2,5-dimethoxyphenyl)-6-(p-tolylthio)octyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline Formula: C34H45NO4S MolecularWeight: 563.7904

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC(CCCN1CCC2=CC(=C(C=C2C1)OC)OC)C3=C(C=CC(=C3)OC)OC)SC4=CC=C(C=C4)C

Isomeric SMILES

CCC(CC(CCCN1CCC2=CC(=C(C=C2C1)OC)OC)C3=C(C=CC(=C3)OC)OC)SC4=CC=C(C=C4)C

InChI

InChI=1S/C34H45NO4S/c1-7-29(40-30-13-10-24(2)11-14-30)19-26(31-22-28(36-3)12-15-32(31)37-4)9-8-17-35-18-16-25-20-33(38-5)34(39-6)21-27(25)23-35/h10-15,20-22,26,29H,7-9,16-19,23H2,1-6H3