4-(5-chloranyl-2-oxidanyl-phenyl)-3-[4-[cyclohexyl(methyl)amino]-2-oxidanylidene-butyl]sulfanyl-6-(trifluoromethyl)-1H-quinolin-2-one

Systemtic Name: 4-(5-chloranyl-2-oxidanyl-phenyl)-3-[4-[cyclohexyl(methyl)amino]-2-oxidanylidene-butyl]sulfanyl-6-(trifluoromethyl)-1H-quinolin-2-one Openeye Name: 4-(5-chloro-2-hydroxy-phenyl)-3-[4-[cyclohexyl(methyl)amino]-2-oxo-butyl]sulfanyl-6-(trifluoromethyl)-1H-quinolin-2-one CAS Name: 4-(5-chloro-2-hydroxyphenyl)-3-[[4-[cyclohexyl(methyl)amino]-2-oxobutyl]thio]-6-(trifluoromethyl)-1H-quinolin-2-one IUPAC Name: 4-(5-chloro-2-hydroxyphenyl)-3-[4-[cyclohexyl(methyl)amino]-2-oxobutyl]sulfanyl-6-(trifluoromethyl)-1H-quinolin-2-one Traditional Name: 4-(5-chloro-2-hydroxy-phenyl)-3-[[4-[cyclohexyl(methyl)amino]-2-keto-butyl]thio]-6-(trifluoromethyl)carbostyril Formula: C27H28ClF3N2O3S MolecularWeight: 553.03603

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC(=O)CSC1=C(C2=C(C=CC(=C2)C(F)(F)F)NC1=O)C3=C(C=CC(=C3)Cl)O)C4CCCCC4

Isomeric SMILES

CN(CCC(=O)CSC1=C(C2=C(C=CC(=C2)C(F)(F)F)NC1=O)C3=C(C=CC(=C3)Cl)O)C4CCCCC4

InChI

InChI=1S/C27H28ClF3N2O3S/c1-33(18-5-3-2-4-6-18)12-11-19(34)15-37-25-24(21-14-17(28)8-10-23(21)35)20-13-16(27(29,30)31)7-9-22(20)32-26(25)36/h7-10,13-14,18,35H,2-6,11-12,15H2,1H3,(H,32,36)