3-[5-[bis(prop-2-enyl)amino]-2-oxidanyl-pentyl]sulfanyl-4-(5-chloranyl-2-oxidanyl-phenyl)-6-(trifluoromethyl)-1H-quinolin-2-one

Systemtic Name: 3-[5-[bis(prop-2-enyl)amino]-2-oxidanyl-pentyl]sulfanyl-4-(5-chloranyl-2-oxidanyl-phenyl)-6-(trifluoromethyl)-1H-quinolin-2-one Openeye Name: 4-(5-chloro-2-hydroxy-phenyl)-3-[5-(diallylamino)-2-hydroxy-pentyl]sulfanyl-6-(trifluoromethyl)-1H-quinolin-2-one CAS Name: 3-[[5-[bis(prop-2-enyl)amino]-2-hydroxypentyl]thio]-4-(5-chloro-2-hydroxyphenyl)-6-(trifluoromethyl)-1H-quinolin-2-one IUPAC Name: 3-[5-[bis(prop-2-enyl)amino]-2-hydroxypentyl]sulfanyl-4-(5-chloro-2-hydroxyphenyl)-6-(trifluoromethyl)-1H-quinolin-2-one Traditional Name: 4-(5-chloro-2-hydroxy-phenyl)-3-[[5-(diallylamino)-2-hydroxy-pentyl]thio]-6-(trifluoromethyl)carbostyril Formula: C27H28ClF3N2O3S MolecularWeight: 553.03603

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN(CCCC(CSC1=C(C2=C(C=CC(=C2)C(F)(F)F)NC1=O)C3=C(C=CC(=C3)Cl)O)O)CC=C

Isomeric SMILES

C=CCN(CCCC(CSC1=C(C2=C(C=CC(=C2)C(F)(F)F)NC1=O)C3=C(C=CC(=C3)Cl)O)O)CC=C

InChI

InChI=1S/C27H28ClF3N2O3S/c1-3-11-33(12-4-2)13-5-6-19(34)16-37-25-24(21-15-18(28)8-10-23(21)35)20-14-17(27(29,30)31)7-9-22(20)32-26(25)36/h3-4,7-10,14-15,19,34-35H,1-2,5-6,11-13,16H2,(H,32,36)