methyl 4-oxidanylidene-4-[[3-(trifluoromethyl)phenyl]carbamothioylamino]butanoate

Systemtic Name: methyl 4-oxidanylidene-4-[[3-(trifluoromethyl)phenyl]carbamothioylamino]butanoate Openeye Name: methyl 4-oxo-4-[[3-(trifluoromethyl)phenyl]carbamothioylamino]butanoate CAS Name: 4-oxo-4-[[sulfanylidene-[3-(trifluoromethyl)anilino]methyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-oxo-4-[[3-(trifluoromethyl)phenyl]carbamothioylamino]butanoate Traditional Name: 4-keto-4-[[3-(trifluoromethyl)phenyl]thiocarbamoylamino]butyric acid methyl ester Formula: C13H13F3N2O3S MolecularWeight: 334.31413

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC(=O)NC(=S)NC1=CC=CC(=C1)C(F)(F)F

Isomeric SMILES

COC(=O)CCC(=O)NC(=S)NC1=CC=CC(=C1)C(F)(F)F

InChI

InChI=1S/C13H13F3N2O3S/c1-21-11(20)6-5-10(19)18-12(22)17-9-4-2-3-8(7-9)13(14,15)16/h2-4,7H,5-6H2,1H3,(H2,17,18,19,22)