1-[6-cyclohexylsulfanyl-6-(3,4-dimethoxyphenyl)hexyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline

Systemtic Name: 1-[6-cyclohexylsulfanyl-6-(3,4-dimethoxyphenyl)hexyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline Openeye Name: 1-[6-cyclohexylsulfanyl-6-(3,4-dimethoxyphenyl)hexyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline CAS Name: 1-[6-(cyclohexylthio)-6-(3,4-dimethoxyphenyl)hexyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline IUPAC Name: 1-[6-cyclohexylsulfanyl-6-(3,4-dimethoxyphenyl)hexyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline Traditional Name: 1-[6-(cyclohexylthio)-6-(3,4-dimethoxyphenyl)hexyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline Formula: C31H45NO4S MolecularWeight: 527.7583

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(CCCCCC2C3=CC(=C(C=C3CCN2)OC)OC)SC4CCCCC4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(CCCCCC2C3=CC(=C(C=C3CCN2)OC)OC)SC4CCCCC4)OC

InChI

InChI=1S/C31H45NO4S/c1-33-27-16-15-23(20-28(27)34-2)31(37-24-11-7-5-8-12-24)14-10-6-9-13-26-25-21-30(36-4)29(35-3)19-22(25)17-18-32-26/h15-16,19-21,24,26,31-32H,5-14,17-18H2,1-4H3