3-[(3-chloranyl-4-fluoranyl-phenyl)carbamothioylamino]propanoic acid

Systemtic Name: 3-[(3-chloranyl-4-fluoranyl-phenyl)carbamothioylamino]propanoic acid Openeye Name: 3-[(3-chloro-4-fluoro-phenyl)carbamothioylamino]propanoic acid CAS Name: 3-[[(3-chloro-4-fluoroanilino)-sulfanylidenemethyl]amino]propanoic acid IUPAC Name: 3-[(3-chloro-4-fluorophenyl)carbamothioylamino]propanoic acid Traditional Name: 3-[(3-chloro-4-fluoro-phenyl)thiocarbamoylamino]propionic acid Formula: C10H10ClFN2O2S MolecularWeight: 276.715003

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NC(=S)NCCC(=O)O)Cl)F

Isomeric SMILES

C1=CC(=C(C=C1NC(=S)NCCC(=O)O)Cl)F

InChI

InChI=1S/C10H10ClFN2O2S/c11-7-5-6(1-2-8(7)12)14-10(17)13-4-3-9(15)16/h1-2,5H,3-4H2,(H,15,16)(H2,13,14,17)