2-[6-(3,4-dimethoxyphenyl)-6-(4-methylphenyl)sulfanyl-hexyl]-6-methoxy-3,4-dihydro-1H-isoquinoline

Systemtic Name: 2-[6-(3,4-dimethoxyphenyl)-6-(4-methylphenyl)sulfanyl-hexyl]-6-methoxy-3,4-dihydro-1H-isoquinoline Openeye Name: 2-[6-(3,4-dimethoxyphenyl)-6-(p-tolylsulfanyl)hexyl]-6-methoxy-3,4-dihydro-1H-isoquinoline CAS Name: 2-[6-(3,4-dimethoxyphenyl)-6-[(4-methylphenyl)thio]hexyl]-6-methoxy-3,4-dihydro-1H-isoquinoline IUPAC Name: 2-[6-(3,4-dimethoxyphenyl)-6-(4-methylphenyl)sulfanylhexyl]-6-methoxy-3,4-dihydro-1H-isoquinoline Traditional Name: 2-[6-(3,4-dimethoxyphenyl)-6-(p-tolylthio)hexyl]-6-methoxy-3,4-dihydro-1H-isoquinoline Formula: C31H39NO3S MolecularWeight: 505.71126

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC(CCCCCN2CCC3=C(C2)C=CC(=C3)OC)C4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CC1=CC=C(C=C1)SC(CCCCCN2CCC3=C(C2)C=CC(=C3)OC)C4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C31H39NO3S/c1-23-9-14-28(15-10-23)36-31(25-12-16-29(34-3)30(21-25)35-4)8-6-5-7-18-32-19-17-24-20-27(33-2)13-11-26(24)22-32/h9-16,20-21,31H,5-8,17-19,22H2,1-4H3