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

Systemtic Name: 1-heptyl-6,7-dimethoxy-1-(4-methylphenyl)sulfanyl-3,4-dihydro-2H-isoquinoline Openeye Name: 1-heptyl-6,7-dimethoxy-1-(p-tolylsulfanyl)-3,4-dihydro-2H-isoquinoline CAS Name: 1-heptyl-6,7-dimethoxy-1-[(4-methylphenyl)thio]-3,4-dihydro-2H-isoquinoline IUPAC Name: 1-heptyl-6,7-dimethoxy-1-(4-methylphenyl)sulfanyl-3,4-dihydro-2H-isoquinoline Traditional Name: 1-heptyl-6,7-dimethoxy-1-(p-tolylthio)-3,4-dihydro-2H-isoquinoline Formula: C25H35NO2S MolecularWeight: 413.6159

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1(C2=CC(=C(C=C2CCN1)OC)OC)SC3=CC=C(C=C3)C

Isomeric SMILES

CCCCCCCC1(C2=CC(=C(C=C2CCN1)OC)OC)SC3=CC=C(C=C3)C

InChI

InChI=1S/C25H35NO2S/c1-5-6-7-8-9-15-25(29-21-12-10-19(2)11-13-21)22-18-24(28-4)23(27-3)17-20(22)14-16-26-25/h10-13,17-18,26H,5-9,14-16H2,1-4H3