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

Systemtic Name: 1-[1-(4-fluorophenyl)-7-(2-oxidanylidene-2-thiomorpholin-4-yl-ethoxy)-3,4-dihydro-1H-isoquinolin-2-yl]-3-methyl-butan-1-one Openeye Name: 1-[1-(4-fluorophenyl)-7-(2-oxo-2-thiomorpholino-ethoxy)-3,4-dihydro-1H-isoquinolin-2-yl]-3-methyl-butan-1-one CAS Name: 1-[1-(4-fluorophenyl)-7-(2-oxo-2-thiomorpholin-4-ylethoxy)-3,4-dihydro-1H-isoquinolin-2-yl]-3-methyl-1-butanone IUPAC Name: 1-[1-(4-fluorophenyl)-7-(2-oxo-2-thiomorpholin-4-ylethoxy)-3,4-dihydro-1H-isoquinolin-2-yl]-3-methylbutan-1-one Traditional Name: 1-[1-(4-fluorophenyl)-7-(2-keto-2-thiomorpholino-ethoxy)-3,4-dihydro-1H-isoquinolin-2-yl]-3-methyl-butan-1-one Formula: C26H31FN2O3S MolecularWeight: 470.599343

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H31FN2O3S/c1-18(2)15-24(30)29-10-9-19-5-8-22(32-17-25(31)28-11-13-33-14-12-28)16-23(19)26(29)20-3-6-21(27)7-4-20/h3-8,16,18,26H,9-15,17H2,1-2H3