4-(5-chloranyl-2-oxidanyl-phenyl)-3-[2-oxidanyl-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]sulfanyl-6-(trifluoromethyl)-1H-quinolin-2-one

Systemtic Name: 4-(5-chloranyl-2-oxidanyl-phenyl)-3-[2-oxidanyl-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]sulfanyl-6-(trifluoromethyl)-1H-quinolin-2-one Openeye Name: 4-(5-chloro-2-hydroxy-phenyl)-3-[2-hydroxy-3-[4-(2-pyridyl)piperazin-1-yl]propyl]sulfanyl-6-(trifluoromethyl)-1H-quinolin-2-one CAS Name: 4-(5-chloro-2-hydroxyphenyl)-3-[[2-hydroxy-3-[4-(2-pyridinyl)-1-piperazinyl]propyl]thio]-6-(trifluoromethyl)-1H-quinolin-2-one IUPAC Name: 4-(5-chloro-2-hydroxyphenyl)-3-[2-hydroxy-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]sulfanyl-6-(trifluoromethyl)-1H-quinolin-2-one Traditional Name: 4-(5-chloro-2-hydroxy-phenyl)-3-[[2-hydroxy-3-[4-(2-pyridyl)piperazino]propyl]thio]-6-(trifluoromethyl)carbostyril Formula: C28H26ClF3N4O3S MolecularWeight: 591.04425

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(CSC2=C(C3=C(C=CC(=C3)C(F)(F)F)NC2=O)C4=C(C=CC(=C4)Cl)O)O)C5=CC=CC=N5

Isomeric SMILES

C1CN(CCN1CC(CSC2=C(C3=C(C=CC(=C3)C(F)(F)F)NC2=O)C4=C(C=CC(=C4)Cl)O)O)C5=CC=CC=N5

InChI

InChI=1S/C28H26ClF3N4O3S/c29-18-5-7-23(38)21(14-18)25-20-13-17(28(30,31)32)4-6-22(20)34-27(39)26(25)40-16-19(37)15-35-9-11-36(12-10-35)24-3-1-2-8-33-24/h1-8,13-14,19,37-38H,9-12,15-16H2,(H,34,39)