3-[[2-(trifluoromethyl)phenyl]carbamothioylamino]propanoic acid

Systemtic Name: 3-[[2-(trifluoromethyl)phenyl]carbamothioylamino]propanoic acid Openeye Name: 3-[[2-(trifluoromethyl)phenyl]carbamothioylamino]propanoic acid CAS Name: 3-[[sulfanylidene-[2-(trifluoromethyl)anilino]methyl]amino]propanoic acid IUPAC Name: 3-[[2-(trifluoromethyl)phenyl]carbamothioylamino]propanoic acid Traditional Name: 3-[[2-(trifluoromethyl)phenyl]thiocarbamoylamino]propionic acid Formula: C11H11F3N2O2S MolecularWeight: 292.27745

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(F)(F)F)NC(=S)NCCC(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)C(F)(F)F)NC(=S)NCCC(=O)O

InChI

InChI=1S/C11H11F3N2O2S/c12-11(13,14)7-3-1-2-4-8(7)16-10(19)15-6-5-9(17)18/h1-4H,5-6H2,(H,17,18)(H2,15,16,19)