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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(CCCCC(=O)C2C3=CC(=C(C=C3CCN2)OC)OC)SC4CCCCC4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(CCCCC(=O)C2C3=CC(=C(C=C3CCN2)OC)OC)SC4CCCCC4)OC

InChI

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