4-(5-chloranyl-2-oxidanyl-phenyl)-3-[2-oxidanylidene-5-[4-(phenylmethyl)piperidin-1-yl]pentyl]sulfanyl-6-(trifluoromethyl)-1H-quinolin-2-one

Systemtic Name: 4-(5-chloranyl-2-oxidanyl-phenyl)-3-[2-oxidanylidene-5-[4-(phenylmethyl)piperidin-1-yl]pentyl]sulfanyl-6-(trifluoromethyl)-1H-quinolin-2-one Openeye Name: 3-[5-(4-benzyl-1-piperidyl)-2-oxo-pentyl]sulfanyl-4-(5-chloro-2-hydroxy-phenyl)-6-(trifluoromethyl)-1H-quinolin-2-one CAS Name: 4-(5-chloro-2-hydroxyphenyl)-3-[[2-oxo-5-[4-(phenylmethyl)-1-piperidinyl]pentyl]thio]-6-(trifluoromethyl)-1H-quinolin-2-one IUPAC Name: 3-[5-(4-benzylpiperidin-1-yl)-2-oxopentyl]sulfanyl-4-(5-chloro-2-hydroxyphenyl)-6-(trifluoromethyl)-1H-quinolin-2-one Traditional Name: 3-[[5-(4-benzylpiperidino)-2-keto-pentyl]thio]-4-(5-chloro-2-hydroxy-phenyl)-6-(trifluoromethyl)carbostyril Formula: C33H32ClF3N2O3S MolecularWeight: 629.13199

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)CCCC(=O)CSC3=C(C4=C(C=CC(=C4)C(F)(F)F)NC3=O)C5=C(C=CC(=C5)Cl)O

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)CCCC(=O)CSC3=C(C4=C(C=CC(=C4)C(F)(F)F)NC3=O)C5=C(C=CC(=C5)Cl)O

InChI

InChI=1S/C33H32ClF3N2O3S/c34-24-9-11-29(41)27(19-24)30-26-18-23(33(35,36)37)8-10-28(26)38-32(42)31(30)43-20-25(40)7-4-14-39-15-12-22(13-16-39)17-21-5-2-1-3-6-21/h1-3,5-6,8-11,18-19,22,41H,4,7,12-17,20H2,(H,38,42)