1-heptyl-6,7,8-trimethoxy-1-(4-methylphenyl)sulfanyl-3,4-dihydro-2H-isoquinoline

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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