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

Systemtic Name: 6,7-dimethoxy-2-(4-methylphenyl)sulfanyl-1-octyl-3,4-dihydro-1H-isoquinoline Openeye Name: 6,7-dimethoxy-1-octyl-2-(p-tolylsulfanyl)-3,4-dihydro-1H-isoquinoline CAS Name: 6,7-dimethoxy-2-[(4-methylphenyl)thio]-1-octyl-3,4-dihydro-1H-isoquinoline IUPAC Name: 6,7-dimethoxy-2-(4-methylphenyl)sulfanyl-1-octyl-3,4-dihydro-1H-isoquinoline Traditional Name: 6,7-dimethoxy-1-octyl-2-(p-tolylthio)-3,4-dihydro-1H-isoquinoline Formula: C26H37NO2S MolecularWeight: 427.64248

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1C2=CC(=C(C=C2CCN1SC3=CC=C(C=C3)C)OC)OC

Isomeric SMILES

CCCCCCCCC1C2=CC(=C(C=C2CCN1SC3=CC=C(C=C3)C)OC)OC

InChI

InChI=1S/C26H37NO2S/c1-5-6-7-8-9-10-11-24-23-19-26(29-4)25(28-3)18-21(23)16-17-27(24)30-22-14-12-20(2)13-15-22/h12-15,18-19,24H,5-11,16-17H2,1-4H3