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

Systemtic Name: 1-[1-(3-fluorophenyl)-7-(2-oxidanylidene-2-thiomorpholin-4-yl-ethoxy)-3,4-dihydro-1H-isoquinolin-2-yl]propan-1-one Openeye Name: 1-[1-(3-fluorophenyl)-7-(2-oxo-2-thiomorpholino-ethoxy)-3,4-dihydro-1H-isoquinolin-2-yl]propan-1-one CAS Name: 1-[1-(3-fluorophenyl)-7-(2-oxo-2-thiomorpholin-4-ylethoxy)-3,4-dihydro-1H-isoquinolin-2-yl]-1-propanone IUPAC Name: 1-[1-(3-fluorophenyl)-7-(2-oxo-2-thiomorpholin-4-ylethoxy)-3,4-dihydro-1H-isoquinolin-2-yl]propan-1-one Traditional Name: 1-[1-(3-fluorophenyl)-7-(2-keto-2-thiomorpholino-ethoxy)-3,4-dihydro-1H-isoquinolin-2-yl]propan-1-one Formula: C24H27FN2O3S MolecularWeight: 442.546183

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H27FN2O3S/c1-2-22(28)27-9-8-17-6-7-20(30-16-23(29)26-10-12-31-13-11-26)15-21(17)24(27)18-4-3-5-19(25)14-18/h3-7,14-15,24H,2,8-13,16H2,1H3