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

Systemtic Name: 4-[(3-chloranyl-4-fluoranyl-phenyl)carbamothioylamino]butanoic acid Openeye Name: 4-[(3-chloro-4-fluoro-phenyl)carbamothioylamino]butanoic acid CAS Name: 4-[[(3-chloro-4-fluoroanilino)-sulfanylidenemethyl]amino]butanoic acid IUPAC Name: 4-[(3-chloro-4-fluorophenyl)carbamothioylamino]butanoic acid Traditional Name: 4-[(3-chloro-4-fluoro-phenyl)thiocarbamoylamino]butyric acid Formula: C11H12ClFN2O2S MolecularWeight: 290.741583

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H12ClFN2O2S/c12-8-6-7(3-4-9(8)13)15-11(18)14-5-1-2-10(16)17/h3-4,6H,1-2,5H2,(H,16,17)(H2,14,15,18)