3-[(2-ethyl-6-methyl-phenyl)carbamothioylamino]propanoic acid

Systemtic Name: 3-[(2-ethyl-6-methyl-phenyl)carbamothioylamino]propanoic acid Openeye Name: 3-[(2-ethyl-6-methyl-phenyl)carbamothioylamino]propanoic acid CAS Name: 3-[[(2-ethyl-6-methylanilino)-sulfanylidenemethyl]amino]propanoic acid IUPAC Name: 3-[(2-ethyl-6-methylphenyl)carbamothioylamino]propanoic acid Traditional Name: 3-[(2-ethyl-6-methyl-phenyl)thiocarbamoylamino]propionic acid Formula: C13H18N2O2S MolecularWeight: 266.35922

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=S)NCCC(=O)O)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=S)NCCC(=O)O)C

InChI

InChI=1S/C13H18N2O2S/c1-3-10-6-4-5-9(2)12(10)15-13(18)14-8-7-11(16)17/h4-6H,3,7-8H2,1-2H3,(H,16,17)(H2,14,15,18)