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

Systemtic Name: 2-[7-(3,4-dimethoxyphenyl)-7-(4-methylphenyl)sulfanyl-heptyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline Openeye Name: 2-[7-(3,4-dimethoxyphenyl)-7-(p-tolylsulfanyl)heptyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline CAS Name: 2-[7-(3,4-dimethoxyphenyl)-7-[(4-methylphenyl)thio]heptyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline IUPAC Name: 2-[7-(3,4-dimethoxyphenyl)-7-(4-methylphenyl)sulfanylheptyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline Traditional Name: 2-[7-(3,4-dimethoxyphenyl)-7-(p-tolylthio)heptyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline Formula: C33H43NO4S MolecularWeight: 549.76382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC(CCCCCCN2CCC3=CC(=C(C=C3C2)OC)OC)C4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CC1=CC=C(C=C1)SC(CCCCCCN2CCC3=CC(=C(C=C3C2)OC)OC)C4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C33H43NO4S/c1-24-11-14-28(15-12-24)39-33(26-13-16-29(35-2)30(21-26)36-3)10-8-6-7-9-18-34-19-17-25-20-31(37-4)32(38-5)22-27(25)23-34/h11-16,20-22,33H,6-10,17-19,23H2,1-5H3