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

Systemtic Name: 4-(5-chloranyl-2-oxidanyl-phenyl)-3-[3-(4-ethanoylpiperazin-1-yl)-2-oxidanyl-propyl]sulfanyl-6-(trifluoromethyl)-1H-quinolin-2-one Openeye Name: 3-[3-(4-acetylpiperazin-1-yl)-2-hydroxy-propyl]sulfanyl-4-(5-chloro-2-hydroxy-phenyl)-6-(trifluoromethyl)-1H-quinolin-2-one CAS Name: 3-[[3-(4-acetyl-1-piperazinyl)-2-hydroxypropyl]thio]-4-(5-chloro-2-hydroxyphenyl)-6-(trifluoromethyl)-1H-quinolin-2-one IUPAC Name: 3-[3-(4-acetylpiperazin-1-yl)-2-hydroxypropyl]sulfanyl-4-(5-chloro-2-hydroxyphenyl)-6-(trifluoromethyl)-1H-quinolin-2-one Traditional Name: 3-[[3-(4-acetylpiperazino)-2-hydroxy-propyl]thio]-4-(5-chloro-2-hydroxy-phenyl)-6-(trifluoromethyl)carbostyril Formula: C25H25ClF3N3O4S MolecularWeight: 555.99691

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(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

CC(=O)N1CCN(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/C25H25ClF3N3O4S/c1-14(33)32-8-6-31(7-9-32)12-17(34)13-37-23-22(19-11-16(26)3-5-21(19)35)18-10-15(25(27,28)29)2-4-20(18)30-24(23)36/h2-5,10-11,17,34-35H,6-9,12-13H2,1H3,(H,30,36)