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

Systemtic Name: 6-tert-butylsulfanyl-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-6-(3,4-dimethoxyphenyl)hexan-1-one Openeye Name: 6-tert-butylsulfanyl-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-6-(3,4-dimethoxyphenyl)hexan-1-one CAS Name: 6-(tert-butylthio)-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-6-(3,4-dimethoxyphenyl)-1-hexanone IUPAC Name: 6-tert-butylsulfanyl-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-6-(3,4-dimethoxyphenyl)hexan-1-one Traditional Name: 6-(tert-butylthio)-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-6-(3,4-dimethoxyphenyl)hexan-1-one Formula: C29H41NO5S MolecularWeight: 515.70454

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)SC(CCCCC(=O)N1CCC2=CC(=C(C=C2C1)OC)OC)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC(C)(C)SC(CCCCC(=O)N1CCC2=CC(=C(C=C2C1)OC)OC)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C29H41NO5S/c1-29(2,3)36-27(21-12-13-23(32-4)24(17-21)33-5)10-8-9-11-28(31)30-15-14-20-16-25(34-6)26(35-7)18-22(20)19-30/h12-13,16-18,27H,8-11,14-15,19H2,1-7H3