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

Systemtic Name: 3-[(3-fluoranyl-4-methyl-phenyl)carbamothioylamino]propanoic acid Openeye Name: 3-[(3-fluoro-4-methyl-phenyl)carbamothioylamino]propanoic acid CAS Name: 3-[[(3-fluoro-4-methylanilino)-sulfanylidenemethyl]amino]propanoic acid IUPAC Name: 3-[(3-fluoro-4-methylphenyl)carbamothioylamino]propanoic acid Traditional Name: 3-[(3-fluoro-4-methyl-phenyl)thiocarbamoylamino]propionic acid Formula: C11H13FN2O2S MolecularWeight: 256.296523

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)NCCC(=O)O)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)NCCC(=O)O)F

InChI

InChI=1S/C11H13FN2O2S/c1-7-2-3-8(6-9(7)12)14-11(17)13-5-4-10(15)16/h2-3,6H,4-5H2,1H3,(H,15,16)(H2,13,14,17)