2-[6-(1,3-benzodioxol-5-yl)-6-(4-methylphenyl)sulfanyl-hexyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline

Systemtic Name: 2-[6-(1,3-benzodioxol-5-yl)-6-(4-methylphenyl)sulfanyl-hexyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline Openeye Name: 2-[6-(1,3-benzodioxol-5-yl)-6-(p-tolylsulfanyl)hexyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline CAS Name: 2-[6-(1,3-benzodioxol-5-yl)-6-[(4-methylphenyl)thio]hexyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline IUPAC Name: 2-[6-(1,3-benzodioxol-5-yl)-6-(4-methylphenyl)sulfanylhexyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline Traditional Name: 2-[6-(1,3-benzodioxol-5-yl)-6-(p-tolylthio)hexyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline Formula: C31H37NO4S MolecularWeight: 519.69478

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC(CCCCCN2CCC3=CC(=C(C=C3C2)OC)OC)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=CC=C(C=C1)SC(CCCCCN2CCC3=CC(=C(C=C3C2)OC)OC)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C31H37NO4S/c1-22-8-11-26(12-9-22)37-31(24-10-13-27-30(18-24)36-21-35-27)7-5-4-6-15-32-16-14-23-17-28(33-2)29(34-3)19-25(23)20-32/h8-13,17-19,31H,4-7,14-16,20-21H2,1-3H3