1-[1-(4-fluorophenyl)-7-(1-oxidanylidene-1-thiomorpholin-4-yl-propan-2-yl)oxy-3,4-dihydro-1H-isoquinolin-2-yl]-2-methyl-propan-1-one

Systemtic Name: 1-[1-(4-fluorophenyl)-7-(1-oxidanylidene-1-thiomorpholin-4-yl-propan-2-yl)oxy-3,4-dihydro-1H-isoquinolin-2-yl]-2-methyl-propan-1-one Openeye Name: 1-[1-(4-fluorophenyl)-7-(1-methyl-2-oxo-2-thiomorpholino-ethoxy)-3,4-dihydro-1H-isoquinolin-2-yl]-2-methyl-propan-1-one CAS Name: 1-[1-(4-fluorophenyl)-7-(1-oxo-1-thiomorpholin-4-ylpropan-2-yl)oxy-3,4-dihydro-1H-isoquinolin-2-yl]-2-methyl-1-propanone IUPAC Name: 1-[1-(4-fluorophenyl)-7-(1-oxo-1-thiomorpholin-4-ylpropan-2-yl)oxy-3,4-dihydro-1H-isoquinolin-2-yl]-2-methylpropan-1-one Traditional Name: 1-[1-(4-fluorophenyl)-7-(2-keto-1-methyl-2-thiomorpholino-ethoxy)-3,4-dihydro-1H-isoquinolin-2-yl]-2-methyl-propan-1-one Formula: C26H31FN2O3S MolecularWeight: 470.599343

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N1CCC2=C(C1C3=CC=C(C=C3)F)C=C(C=C2)OC(C)C(=O)N4CCSCC4

Isomeric SMILES

CC(C)C(=O)N1CCC2=C(C1C3=CC=C(C=C3)F)C=C(C=C2)OC(C)C(=O)N4CCSCC4

InChI

InChI=1S/C26H31FN2O3S/c1-17(2)25(30)29-11-10-19-6-9-22(32-18(3)26(31)28-12-14-33-15-13-28)16-23(19)24(29)20-4-7-21(27)8-5-20/h4-9,16-18,24H,10-15H2,1-3H3