methyl 4-methylsulfanyl-2-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]carbonylamino]butanoate

Systemtic Name: methyl 4-methylsulfanyl-2-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]carbonylamino]butanoate Openeye Name: methyl 4-methylsulfanyl-2-[[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]amino]butanoate CAS Name: 4-(methylthio)-2-[[oxo-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]methyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-methylsulfanyl-2-[[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]amino]butanoate Traditional Name: 4-(methylthio)-2-[[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]amino]butyric acid methyl ester Formula: C18H24F3N3O3S MolecularWeight: 419.46167

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=O)N1CCN(CC1)C2=CC=CC(=C2)C(F)(F)F

Isomeric SMILES

COC(=O)C(CCSC)NC(=O)N1CCN(CC1)C2=CC=CC(=C2)C(F)(F)F

InChI

InChI=1S/C18H24F3N3O3S/c1-27-16(25)15(6-11-28-2)22-17(26)24-9-7-23(8-10-24)14-5-3-4-13(12-14)18(19,20)21/h3-5,12,15H,6-11H2,1-2H3,(H,22,26)