1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-methyl-2-phenylsulfanyl-butan-1-one

Systemtic Name: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-methyl-2-phenylsulfanyl-butan-1-one Openeye Name: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-methyl-2-phenylsulfanyl-butan-1-one CAS Name: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-methyl-2-(phenylthio)-1-butanone IUPAC Name: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-methyl-2-phenylsulfanylbutan-1-one Traditional Name: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-methyl-2-(phenylthio)butan-1-one Formula: C22H27NO3S MolecularWeight: 385.51968

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N1CCC2=CC(=C(C=C2C1)OC)OC)SC3=CC=CC=C3

Isomeric SMILES

CC(C)C(C(=O)N1CCC2=CC(=C(C=C2C1)OC)OC)SC3=CC=CC=C3

InChI

InChI=1S/C22H27NO3S/c1-15(2)21(27-18-8-6-5-7-9-18)22(24)23-11-10-16-12-19(25-3)20(26-4)13-17(16)14-23/h5-9,12-13,15,21H,10-11,14H2,1-4H3