3-[[2,4-bis(fluoranyl)phenyl]carbamothioylamino]propanoic acid

Systemtic Name: 3-[[2,4-bis(fluoranyl)phenyl]carbamothioylamino]propanoic acid Openeye Name: 3-[(2,4-difluorophenyl)carbamothioylamino]propanoic acid CAS Name: 3-[[(2,4-difluoroanilino)-sulfanylidenemethyl]amino]propanoic acid IUPAC Name: 3-[(2,4-difluorophenyl)carbamothioylamino]propanoic acid Traditional Name: 3-[(2,4-difluorophenyl)thiocarbamoylamino]propionic acid Formula: C10H10F2N2O2S MolecularWeight: 260.260406

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1F)F)NC(=S)NCCC(=O)O

Isomeric SMILES

C1=CC(=C(C=C1F)F)NC(=S)NCCC(=O)O

InChI

InChI=1S/C10H10F2N2O2S/c11-6-1-2-8(7(12)5-6)14-10(17)13-4-3-9(15)16/h1-2,5H,3-4H2,(H,15,16)(H2,13,14,17)