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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1C2=C(C(=C(C=C2CCN1SC3=CC=C(C=C3)C)OC)OC)OC

Isomeric SMILES

CCCCCCCC1C2=C(C(=C(C=C2CCN1SC3=CC=C(C=C3)C)OC)OC)OC

InChI

InChI=1S/C26H37NO3S/c1-6-7-8-9-10-11-22-24-20(18-23(28-3)25(29-4)26(24)30-5)16-17-27(22)31-21-14-12-19(2)13-15-21/h12-15,18,22H,6-11,16-17H2,1-5H3