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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C=C(N2)NCCCNCC3=CC(=CC=C3)SC(F)(F)F

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C=C(N2)NCCCNCC3=CC(=CC=C3)SC(F)(F)F

InChI

InChI=1S/C20H20F3N3OS/c21-20(22,23)28-15-6-3-5-14(11-15)13-24-9-4-10-25-19-12-18(27)16-7-1-2-8-17(16)26-19/h1-3,5-8,11-12,24H,4,9-10,13H2,(H2,25,26,27)