2-[[2-ethanoyl-1-(4-fluorophenyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-1-thiomorpholin-4-yl-butan-1-one

Systemtic Name: 2-[[2-ethanoyl-1-(4-fluorophenyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-1-thiomorpholin-4-yl-butan-1-one Openeye Name: 2-[[2-acetyl-1-(4-fluorophenyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-1-thiomorpholino-butan-1-one CAS Name: 2-[[2-acetyl-1-(4-fluorophenyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-1-thiomorpholin-4-yl-1-butanone IUPAC Name: 2-[[2-acetyl-1-(4-fluorophenyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-1-thiomorpholin-4-ylbutan-1-one Traditional Name: 2-[[2-acetyl-1-(4-fluorophenyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-1-thiomorpholino-butan-1-one Formula: C25H29FN2O3S MolecularWeight: 456.572763

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)N1CCSCC1)OC2=CC3=C(CCN(C3C4=CC=C(C=C4)F)C(=O)C)C=C2

Isomeric SMILES

CCC(C(=O)N1CCSCC1)OC2=CC3=C(CCN(C3C4=CC=C(C=C4)F)C(=O)C)C=C2

InChI

InChI=1S/C25H29FN2O3S/c1-3-23(25(30)27-12-14-32-15-13-27)31-21-9-6-18-10-11-28(17(2)29)24(22(18)16-21)19-4-7-20(26)8-5-19/h4-9,16,23-24H,3,10-15H2,1-2H3