2-[2-[[3-(trifluoromethylsulfanyl)phenyl]methylamino]propylamino]-1H-quinolin-4-one

Systemtic Name: 2-[2-[[3-(trifluoromethylsulfanyl)phenyl]methylamino]propylamino]-1H-quinolin-4-one Openeye Name: 2-[2-[[3-(trifluoromethylsulfanyl)phenyl]methylamino]propylamino]-1H-quinolin-4-one CAS Name: 2-[2-[[3-(trifluoromethylthio)phenyl]methylamino]propylamino]-1H-quinolin-4-one IUPAC Name: 2-[2-[[3-(trifluoromethylsulfanyl)phenyl]methylamino]propylamino]-1H-quinolin-4-one Traditional Name: 2-[2-[[3-(trifluoromethylthio)benzyl]amino]propylamino]-4-quinolone Formula: C20H20F3N3OS MolecularWeight: 407.45251

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC1=CC(=O)C2=CC=CC=C2N1)NCC3=CC(=CC=C3)SC(F)(F)F

Isomeric SMILES

CC(CNC1=CC(=O)C2=CC=CC=C2N1)NCC3=CC(=CC=C3)SC(F)(F)F

InChI

InChI=1S/C20H20F3N3OS/c1-13(24-12-14-5-4-6-15(9-14)28-20(21,22)23)11-25-19-10-18(27)16-7-2-3-8-17(16)26-19/h2-10,13,24H,11-12H2,1H3,(H2,25,26,27)