3-[(2,6-dimethylphenyl)carbamothioylamino]propanoic acid

Systemtic Name: 3-[(2,6-dimethylphenyl)carbamothioylamino]propanoic acid Openeye Name: 3-[(2,6-dimethylphenyl)carbamothioylamino]propanoic acid CAS Name: 3-[[(2,6-dimethylanilino)-sulfanylidenemethyl]amino]propanoic acid IUPAC Name: 3-[(2,6-dimethylphenyl)carbamothioylamino]propanoic acid Traditional Name: 3-[(2,6-dimethylphenyl)thiocarbamoylamino]propionic acid Formula: C12H16N2O2S MolecularWeight: 252.33264

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16N2O2S/c1-8-4-3-5-9(2)11(8)14-12(17)13-7-6-10(15)16/h3-5H,6-7H2,1-2H3,(H,15,16)(H2,13,14,17)