6,7,8-trimethoxy-1-[7-(4-methylphenyl)sulfanylheptyl]-1,2,3,4-tetrahydroisoquinoline

Systemtic Name: 6,7,8-trimethoxy-1-[7-(4-methylphenyl)sulfanylheptyl]-1,2,3,4-tetrahydroisoquinoline Openeye Name: 6,7,8-trimethoxy-1-[7-(p-tolylsulfanyl)heptyl]-1,2,3,4-tetrahydroisoquinoline CAS Name: 6,7,8-trimethoxy-1-[7-[(4-methylphenyl)thio]heptyl]-1,2,3,4-tetrahydroisoquinoline IUPAC Name: 6,7,8-trimethoxy-1-[7-(4-methylphenyl)sulfanylheptyl]-1,2,3,4-tetrahydroisoquinoline Traditional Name: 6,7,8-trimethoxy-1-[7-(p-tolylthio)heptyl]-1,2,3,4-tetrahydroisoquinoline Formula: C26H37NO3S MolecularWeight: 443.64188

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H37NO3S/c1-19-11-13-21(14-12-19)31-17-9-7-5-6-8-10-22-24-20(15-16-27-22)18-23(28-2)25(29-3)26(24)30-4/h11-14,18,22,27H,5-10,15-17H2,1-4H3