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

Systemtic Name: 1-(1-tert-butylsulfanyl-6,7-dimethoxy-3,4-dihydro-2H-isoquinolin-1-yl)hexan-1-one Openeye Name: 1-(1-tert-butylsulfanyl-6,7-dimethoxy-3,4-dihydro-2H-isoquinolin-1-yl)hexan-1-one CAS Name: 1-[1-(tert-butylthio)-6,7-dimethoxy-3,4-dihydro-2H-isoquinolin-1-yl]-1-hexanone IUPAC Name: 1-(1-tert-butylsulfanyl-6,7-dimethoxy-3,4-dihydro-2H-isoquinolin-1-yl)hexan-1-one Traditional Name: 1-[1-(tert-butylthio)-6,7-dimethoxy-3,4-dihydro-2H-isoquinolin-1-yl]hexan-1-one Formula: C21H33NO3S MolecularWeight: 379.55662

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)C1(C2=CC(=C(C=C2CCN1)OC)OC)SC(C)(C)C

Isomeric SMILES

CCCCCC(=O)C1(C2=CC(=C(C=C2CCN1)OC)OC)SC(C)(C)C

InChI

InChI=1S/C21H33NO3S/c1-7-8-9-10-19(23)21(26-20(2,3)4)16-14-18(25-6)17(24-5)13-15(16)11-12-22-21/h13-14,22H,7-12H2,1-6H3