6,7-dimethoxy-1-[7-(4-methylphenyl)sulfanylheptyl]-1,2,3,4-tetrahydroisoquinoline

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCCCCCCC2C3=CC(=C(C=C3CCN2)OC)OC

Isomeric SMILES

CC1=CC=C(C=C1)SCCCCCCCC2C3=CC(=C(C=C3CCN2)OC)OC

InChI

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