4-(5-chloranyl-2-oxidanyl-phenyl)-3-[5-[3-(dimethylamino)propylamino]-2-oxidanyl-pentyl]sulfanyl-6-(trifluoromethyl)-1H-quinolin-2-one

Systemtic Name: 4-(5-chloranyl-2-oxidanyl-phenyl)-3-[5-[3-(dimethylamino)propylamino]-2-oxidanyl-pentyl]sulfanyl-6-(trifluoromethyl)-1H-quinolin-2-one Openeye Name: 4-(5-chloro-2-hydroxy-phenyl)-3-[5-[3-(dimethylamino)propylamino]-2-hydroxy-pentyl]sulfanyl-6-(trifluoromethyl)-1H-quinolin-2-one CAS Name: 4-(5-chloro-2-hydroxyphenyl)-3-[[5-[3-(dimethylamino)propylamino]-2-hydroxypentyl]thio]-6-(trifluoromethyl)-1H-quinolin-2-one IUPAC Name: 4-(5-chloro-2-hydroxyphenyl)-3-[5-[3-(dimethylamino)propylamino]-2-hydroxypentyl]sulfanyl-6-(trifluoromethyl)-1H-quinolin-2-one Traditional Name: 4-(5-chloro-2-hydroxy-phenyl)-3-[[5-[3-(dimethylamino)propylamino]-2-hydroxy-pentyl]thio]-6-(trifluoromethyl)carbostyril Formula: C26H31ClF3N3O3S MolecularWeight: 558.05585

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCNCCCC(CSC1=C(C2=C(C=CC(=C2)C(F)(F)F)NC1=O)C3=C(C=CC(=C3)Cl)O)O

Isomeric SMILES

CN(C)CCCNCCCC(CSC1=C(C2=C(C=CC(=C2)C(F)(F)F)NC1=O)C3=C(C=CC(=C3)Cl)O)O

InChI

InChI=1S/C26H31ClF3N3O3S/c1-33(2)12-4-11-31-10-3-5-18(34)15-37-24-23(20-14-17(27)7-9-22(20)35)19-13-16(26(28,29)30)6-8-21(19)32-25(24)36/h6-9,13-14,18,31,34-35H,3-5,10-12,15H2,1-2H3,(H,32,36)