N-[6-[(4-fluorophenyl)methoxy]-1-oxidanylidene-3,4-dihydroisoquinolin-2-yl]-4-methylsulfanyl-butanamide

Systemtic Name: N-[6-[(4-fluorophenyl)methoxy]-1-oxidanylidene-3,4-dihydroisoquinolin-2-yl]-4-methylsulfanyl-butanamide Openeye Name: N-[6-[(4-fluorophenyl)methoxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]-4-methylsulfanyl-butanamide CAS Name: N-[6-[(4-fluorophenyl)methoxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]-4-(methylthio)butanamide IUPAC Name: N-[6-[(4-fluorophenyl)methoxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]-4-methylsulfanylbutanamide Traditional Name: N-[6-(4-fluorobenzyl)oxy-1-keto-3,4-dihydroisoquinolin-2-yl]-4-(methylthio)butyramide Formula: C21H23FN2O3S MolecularWeight: 402.482323

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Descriptors Computed from Structure

Canonical SMILES:

CSCCCC(=O)NN1CCC2=C(C1=O)C=CC(=C2)OCC3=CC=C(C=C3)F

Isomeric SMILES

CSCCCC(=O)NN1CCC2=C(C1=O)C=CC(=C2)OCC3=CC=C(C=C3)F

InChI

InChI=1S/C21H23FN2O3S/c1-28-12-2-3-20(25)23-24-11-10-16-13-18(8-9-19(16)21(24)26)27-14-15-4-6-17(22)7-5-15/h4-9,13H,2-3,10-12,14H2,1H3,(H,23,25)