2-[[3,5-bis(trifluoromethyl)phenyl]carbamothioylamino]ethanoic acid

Systemtic Name: 2-[[3,5-bis(trifluoromethyl)phenyl]carbamothioylamino]ethanoic acid Openeye Name: 2-[[3,5-bis(trifluoromethyl)phenyl]carbamothioylamino]acetic acid CAS Name: 2-[[[3,5-bis(trifluoromethyl)anilino]-sulfanylidenemethyl]amino]acetic acid IUPAC Name: 2-[[3,5-bis(trifluoromethyl)phenyl]carbamothioylamino]acetic acid Traditional Name: 2-[[3,5-bis(trifluoromethyl)phenyl]thiocarbamoylamino]acetic acid Formula: C11H8F6N2O2S MolecularWeight: 346.248839

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C=C1C(F)(F)F)NC(=S)NCC(=O)O)C(F)(F)F

Isomeric SMILES

C1=C(C=C(C=C1C(F)(F)F)NC(=S)NCC(=O)O)C(F)(F)F

InChI

InChI=1S/C11H8F6N2O2S/c12-10(13,14)5-1-6(11(15,16)17)3-7(2-5)19-9(22)18-4-8(20)21/h1-3H,4H2,(H,20,21)(H2,18,19,22)