3-[(4-ethylphenyl)carbamothioylamino]propanoic acid

Systemtic Name: 3-[(4-ethylphenyl)carbamothioylamino]propanoic acid Openeye Name: 3-[(4-ethylphenyl)carbamothioylamino]propanoic acid CAS Name: 3-[[(4-ethylanilino)-sulfanylidenemethyl]amino]propanoic acid IUPAC Name: 3-[(4-ethylphenyl)carbamothioylamino]propanoic acid Traditional Name: 3-[(4-ethylphenyl)thiocarbamoylamino]propionic acid Formula: C12H16N2O2S MolecularWeight: 252.33264

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=S)NCCC(=O)O

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=S)NCCC(=O)O

InChI

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