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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(CCCCCN2CCC3=CC(=C(C=C3C2)OC)OC)SC4CCCCC4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(CCCCCN2CCC3=CC(=C(C=C3C2)OC)OC)SC4CCCCC4)OC

InChI

InChI=1S/C31H45NO4S/c1-33-27-15-14-24(20-28(27)34-2)31(37-26-11-7-5-8-12-26)13-9-6-10-17-32-18-16-23-19-29(35-3)30(36-4)21-25(23)22-32/h14-15,19-21,26,31H,5-13,16-18,22H2,1-4H3