3-[[3-(trifluoromethyl)phenyl]carbamothioylamino]propanoate

Systemtic Name: 3-[[3-(trifluoromethyl)phenyl]carbamothioylamino]propanoate Openeye Name: 3-[[3-(trifluoromethyl)phenyl]carbamothioylamino]propanoate CAS Name: 3-[[sulfanylidene-[3-(trifluoromethyl)anilino]methyl]amino]propanoate IUPAC Name: 3-[[3-(trifluoromethyl)phenyl]carbamothioylamino]propanoate Traditional Name: 3-[[3-(trifluoromethyl)phenyl]thiocarbamoylamino]propionate Formula: C11H10F3N2O2S- MolecularWeight: 291.26951

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=S)NCCC(=O)[O-])C(F)(F)F

Isomeric SMILES

C1=CC(=CC(=C1)NC(=S)NCCC(=O)[O-])C(F)(F)F

InChI

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