4-(5-chloranyl-2-oxidanyl-phenyl)-3-(2-oxidanyl-5-piperazin-1-yl-pentyl)sulfanyl-6-(trifluoromethyl)-1H-quinolin-2-one

Systemtic Name: 4-(5-chloranyl-2-oxidanyl-phenyl)-3-(2-oxidanyl-5-piperazin-1-yl-pentyl)sulfanyl-6-(trifluoromethyl)-1H-quinolin-2-one Openeye Name: 4-(5-chloro-2-hydroxy-phenyl)-3-(2-hydroxy-5-piperazin-1-yl-pentyl)sulfanyl-6-(trifluoromethyl)-1H-quinolin-2-one CAS Name: 4-(5-chloro-2-hydroxyphenyl)-3-[[2-hydroxy-5-(1-piperazinyl)pentyl]thio]-6-(trifluoromethyl)-1H-quinolin-2-one IUPAC Name: 4-(5-chloro-2-hydroxyphenyl)-3-(2-hydroxy-5-piperazin-1-ylpentyl)sulfanyl-6-(trifluoromethyl)-1H-quinolin-2-one Traditional Name: 4-(5-chloro-2-hydroxy-phenyl)-3-[(2-hydroxy-5-piperazino-pentyl)thio]-6-(trifluoromethyl)carbostyril Formula: C25H27ClF3N3O3S MolecularWeight: 542.01339

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)CCCC(CSC2=C(C3=C(C=CC(=C3)C(F)(F)F)NC2=O)C4=C(C=CC(=C4)Cl)O)O

Isomeric SMILES

C1CN(CCN1)CCCC(CSC2=C(C3=C(C=CC(=C3)C(F)(F)F)NC2=O)C4=C(C=CC(=C4)Cl)O)O

InChI

InChI=1S/C25H27ClF3N3O3S/c26-16-4-6-21(34)19(13-16)22-18-12-15(25(27,28)29)3-5-20(18)31-24(35)23(22)36-14-17(33)2-1-9-32-10-7-30-8-11-32/h3-6,12-13,17,30,33-34H,1-2,7-11,14H2,(H,31,35)