6-cyclohexylsulfanyl-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-6-(3,4-dimethoxyphenyl)hexan-1-one

Systemtic Name: 6-cyclohexylsulfanyl-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-6-(3,4-dimethoxyphenyl)hexan-1-one Openeye Name: 6-cyclohexylsulfanyl-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-6-(3,4-dimethoxyphenyl)hexan-1-one CAS Name: 6-(cyclohexylthio)-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-6-(3,4-dimethoxyphenyl)-1-hexanone IUPAC Name: 6-cyclohexylsulfanyl-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-6-(3,4-dimethoxyphenyl)hexan-1-one Traditional Name: 6-(cyclohexylthio)-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-6-(3,4-dimethoxyphenyl)hexan-1-one Formula: C31H43NO5S MolecularWeight: 541.74182

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(CCCCC(=O)N2CCC3=CC(=C(C=C3C2)OC)OC)SC4CCCCC4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(CCCCC(=O)N2CCC3=CC(=C(C=C3C2)OC)OC)SC4CCCCC4)OC

InChI

InChI=1S/C31H43NO5S/c1-34-26-15-14-23(19-27(26)35-2)30(38-25-10-6-5-7-11-25)12-8-9-13-31(33)32-17-16-22-18-28(36-3)29(37-4)20-24(22)21-32/h14-15,18-20,25,30H,5-13,16-17,21H2,1-4H3