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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1(C2=CC(=C(C=C2CCN1)OC)OC)SC3=CC=C(C=C3)C

Isomeric SMILES

CCCCCCCCC1(C2=CC(=C(C=C2CCN1)OC)OC)SC3=CC=C(C=C3)C

InChI

InChI=1S/C26H37NO2S/c1-5-6-7-8-9-10-16-26(30-22-13-11-20(2)12-14-22)23-19-25(29-4)24(28-3)18-21(23)15-17-27-26/h11-14,18-19,27H,5-10,15-17H2,1-4H3