3-[(2,6-dimethylphenyl)carbamothioylamino]propanoate

Systemtic Name: 3-[(2,6-dimethylphenyl)carbamothioylamino]propanoate Openeye Name: 3-[(2,6-dimethylphenyl)carbamothioylamino]propanoate CAS Name: 3-[[(2,6-dimethylanilino)-sulfanylidenemethyl]amino]propanoate IUPAC Name: 3-[(2,6-dimethylphenyl)carbamothioylamino]propanoate Traditional Name: 3-[(2,6-dimethylphenyl)thiocarbamoylamino]propionate Formula: C12H15N2O2S- MolecularWeight: 251.3247

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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)/p-1