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

Systemtic Name: 2-[6-(3,4-dimethoxyphenyl)-6-(4-methylphenyl)sulfanyl-octyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline Openeye Name: 2-[6-(3,4-dimethoxyphenyl)-6-(p-tolylsulfanyl)octyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline CAS Name: 2-[6-(3,4-dimethoxyphenyl)-6-[(4-methylphenyl)thio]octyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline IUPAC Name: 2-[6-(3,4-dimethoxyphenyl)-6-(4-methylphenyl)sulfanyloctyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline Traditional Name: 2-[6-(3,4-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(CCCCCN1CCC2=CC(=C(C=C2C1)OC)OC)(C3=CC(=C(C=C3)OC)OC)SC4=CC=C(C=C4)C

Isomeric SMILES

CCC(CCCCCN1CCC2=CC(=C(C=C2C1)OC)OC)(C3=CC(=C(C=C3)OC)OC)SC4=CC=C(C=C4)C

InChI

InChI=1S/C34H45NO4S/c1-7-34(40-29-14-11-25(2)12-15-29,28-13-16-30(36-3)33(23-28)39-6)18-9-8-10-19-35-20-17-26-21-31(37-4)32(38-5)22-27(26)24-35/h11-16,21-23H,7-10,17-20,24H2,1-6H3