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

Systemtic Name: 4-[[2,4-bis(fluoranyl)phenyl]carbamothioylamino]butanoic acid Openeye Name: 4-[(2,4-difluorophenyl)carbamothioylamino]butanoic acid CAS Name: 4-[[(2,4-difluoroanilino)-sulfanylidenemethyl]amino]butanoic acid IUPAC Name: 4-[(2,4-difluorophenyl)carbamothioylamino]butanoic acid Traditional Name: 4-[(2,4-difluorophenyl)thiocarbamoylamino]butyric acid Formula: C11H12F2N2O2S MolecularWeight: 274.286986

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H12F2N2O2S/c12-7-3-4-9(8(13)6-7)15-11(18)14-5-1-2-10(16)17/h3-4,6H,1-2,5H2,(H,16,17)(H2,14,15,18)