2-[4-[3-[[4-(5-chloranyl-2-oxidanyl-phenyl)-2-oxidanylidene-6-(trifluoromethyl)-1H-quinolin-3-yl]sulfanyl]-2-oxidanyl-propyl]piperazin-1-yl]-N,N-dimethyl-ethanamide

Systemtic Name: 2-[4-[3-[[4-(5-chloranyl-2-oxidanyl-phenyl)-2-oxidanylidene-6-(trifluoromethyl)-1H-quinolin-3-yl]sulfanyl]-2-oxidanyl-propyl]piperazin-1-yl]-N,N-dimethyl-ethanamide Openeye Name: 2-[4-[3-[[4-(5-chloro-2-hydroxy-phenyl)-2-oxo-6-(trifluoromethyl)-1H-quinolin-3-yl]sulfanyl]-2-hydroxy-propyl]piperazin-1-yl]-N,N-dimethyl-acetamide CAS Name: 2-[4-[3-[[4-(5-chloro-2-hydroxyphenyl)-2-oxo-6-(trifluoromethyl)-1H-quinolin-3-yl]thio]-2-hydroxypropyl]-1-piperazinyl]-N,N-dimethylacetamide IUPAC Name: 2-[4-[3-[[4-(5-chloro-2-hydroxyphenyl)-2-oxo-6-(trifluoromethyl)-1H-quinolin-3-yl]sulfanyl]-2-hydroxypropyl]piperazin-1-yl]-N,N-dimethylacetamide Traditional Name: 2-[4-[3-[[4-(5-chloro-2-hydroxy-phenyl)-2-keto-6-(trifluoromethyl)-1H-quinolin-3-yl]thio]-2-hydroxy-propyl]piperazino]-N,N-dimethyl-acetamide Formula: C27H30ClF3N4O4S MolecularWeight: 599.06471

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)CN1CCN(CC1)CC(CSC2=C(C3=C(C=CC(=C3)C(F)(F)F)NC2=O)C4=C(C=CC(=C4)Cl)O)O

Isomeric SMILES

CN(C)C(=O)CN1CCN(CC1)CC(CSC2=C(C3=C(C=CC(=C3)C(F)(F)F)NC2=O)C4=C(C=CC(=C4)Cl)O)O

InChI

InChI=1S/C27H30ClF3N4O4S/c1-33(2)23(38)14-35-9-7-34(8-10-35)13-18(36)15-40-25-24(20-12-17(28)4-6-22(20)37)19-11-16(27(29,30)31)3-5-21(19)32-26(25)39/h3-6,11-12,18,36-37H,7-10,13-15H2,1-2H3,(H,32,39)