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

Systemtic Name: 4-(5-chloranyl-2-oxidanyl-phenyl)-3-[4-[methyl(2-methylpropyl)amino]-2-oxidanyl-butyl]sulfanyl-6-(trifluoromethyl)-1H-quinolin-2-one Openeye Name: 4-(5-chloro-2-hydroxy-phenyl)-3-[2-hydroxy-4-[isobutyl(methyl)amino]butyl]sulfanyl-6-(trifluoromethyl)-1H-quinolin-2-one CAS Name: 4-(5-chloro-2-hydroxyphenyl)-3-[[2-hydroxy-4-[methyl(2-methylpropyl)amino]butyl]thio]-6-(trifluoromethyl)-1H-quinolin-2-one IUPAC Name: 4-(5-chloro-2-hydroxyphenyl)-3-[2-hydroxy-4-[methyl(2-methylpropyl)amino]butyl]sulfanyl-6-(trifluoromethyl)-1H-quinolin-2-one Traditional Name: 4-(5-chloro-2-hydroxy-phenyl)-3-[[2-hydroxy-4-[isobutyl(methyl)amino]butyl]thio]-6-(trifluoromethyl)carbostyril Formula: C25H28ClF3N2O3S MolecularWeight: 529.01463

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H28ClF3N2O3S/c1-14(2)12-31(3)9-8-17(32)13-35-23-22(19-11-16(26)5-7-21(19)33)18-10-15(25(27,28)29)4-6-20(18)30-24(23)34/h4-7,10-11,14,17,32-33H,8-9,12-13H2,1-3H3,(H,30,34)