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

Systemtic Name: 2-[[1-(3-fluorophenyl)-2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-1-thiomorpholin-4-yl-butan-1-one Openeye Name: 2-[[1-(3-fluorophenyl)-2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-1-thiomorpholino-butan-1-one CAS Name: 2-[[1-(3-fluorophenyl)-2-(1-oxopropyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-1-thiomorpholin-4-yl-1-butanone IUPAC Name: 2-[[1-(3-fluorophenyl)-2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-1-thiomorpholin-4-ylbutan-1-one Traditional Name: 2-[[1-(3-fluorophenyl)-2-propionyl-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-1-thiomorpholino-butan-1-one Formula: C26H31FN2O3S MolecularWeight: 470.599343

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H31FN2O3S/c1-3-23(26(31)28-12-14-33-15-13-28)32-21-9-8-18-10-11-29(24(30)4-2)25(22(18)17-21)19-6-5-7-20(27)16-19/h5-9,16-17,23,25H,3-4,10-15H2,1-2H3