1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-nitrophenyl)sulfanyl-propan-1-one

Systemtic Name: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-nitrophenyl)sulfanyl-propan-1-one Openeye Name: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-nitrophenyl)sulfanyl-propan-1-one CAS Name: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-[(4-nitrophenyl)thio]-1-propanone IUPAC Name: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-nitrophenyl)sulfanylpropan-1-one Traditional Name: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-[(4-nitrophenyl)thio]propan-1-one Formula: C20H22N2O5S MolecularWeight: 402.46408

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCC2=CC(=C(C=C2C1)OC)OC)SC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)N1CCC2=CC(=C(C=C2C1)OC)OC)SC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H22N2O5S/c1-13(28-17-6-4-16(5-7-17)22(24)25)20(23)21-9-8-14-10-18(26-2)19(27-3)11-15(14)12-21/h4-7,10-11,13H,8-9,12H2,1-3H3