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

Systemtic Name: 2-[6-tert-butylsulfanyl-6-(3,4-dimethoxyphenyl)hexyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline Openeye Name: 2-[6-tert-butylsulfanyl-6-(3,4-dimethoxyphenyl)hexyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline CAS Name: 2-[6-(tert-butylthio)-6-(3,4-dimethoxyphenyl)hexyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline IUPAC Name: 2-[6-tert-butylsulfanyl-6-(3,4-dimethoxyphenyl)hexyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline Traditional Name: 2-[6-(tert-butylthio)-6-(3,4-dimethoxyphenyl)hexyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline Formula: C29H43NO4S MolecularWeight: 501.72102

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)SC(CCCCCN1CCC2=CC(=C(C=C2C1)OC)OC)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC(C)(C)SC(CCCCCN1CCC2=CC(=C(C=C2C1)OC)OC)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C29H43NO4S/c1-29(2,3)35-28(22-12-13-24(31-4)25(18-22)32-5)11-9-8-10-15-30-16-14-21-17-26(33-6)27(34-7)19-23(21)20-30/h12-13,17-19,28H,8-11,14-16,20H2,1-7H3