2-[2-[[[3-(trifluoromethyl)phenyl]sulfanylmethylamino]methyl]pentylamino]-1H-quinolin-4-one

Systemtic Name: 2-[2-[[[3-(trifluoromethyl)phenyl]sulfanylmethylamino]methyl]pentylamino]-1H-quinolin-4-one Openeye Name: 2-[2-[[[3-(trifluoromethyl)phenyl]sulfanylmethylamino]methyl]pentylamino]-1H-quinolin-4-one CAS Name: 2-[2-[[[[3-(trifluoromethyl)phenyl]thio]methylamino]methyl]pentylamino]-1H-quinolin-4-one IUPAC Name: 2-[2-[[[3-(trifluoromethyl)phenyl]sulfanylmethylamino]methyl]pentylamino]-1H-quinolin-4-one Traditional Name: 2-[2-[[[[3-(trifluoromethyl)phenyl]thio]methylamino]methyl]pentylamino]-4-quinolone Formula: C23H26F3N3OS MolecularWeight: 449.53225

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CNCSC1=CC=CC(=C1)C(F)(F)F)CNC2=CC(=O)C3=CC=CC=C3N2

Isomeric SMILES

CCCC(CNCSC1=CC=CC(=C1)C(F)(F)F)CNC2=CC(=O)C3=CC=CC=C3N2

InChI

InChI=1S/C23H26F3N3OS/c1-2-6-16(13-27-15-31-18-8-5-7-17(11-18)23(24,25)26)14-28-22-12-21(30)19-9-3-4-10-20(19)29-22/h3-5,7-12,16,27H,2,6,13-15H2,1H3,(H2,28,29,30)