4-[[3-(trifluoromethyl)phenyl]carbamothioylamino]butanoic acid

Systemtic Name: 4-[[3-(trifluoromethyl)phenyl]carbamothioylamino]butanoic acid Openeye Name: 4-[[3-(trifluoromethyl)phenyl]carbamothioylamino]butanoic acid CAS Name: 4-[[sulfanylidene-[3-(trifluoromethyl)anilino]methyl]amino]butanoic acid IUPAC Name: 4-[[3-(trifluoromethyl)phenyl]carbamothioylamino]butanoic acid Traditional Name: 4-[[3-(trifluoromethyl)phenyl]thiocarbamoylamino]butyric acid Formula: C12H13F3N2O2S MolecularWeight: 306.30403

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13F3N2O2S/c13-12(14,15)8-3-1-4-9(7-8)17-11(20)16-6-2-5-10(18)19/h1,3-4,7H,2,5-6H2,(H,18,19)(H2,16,17,20)