3-[(2,6-dimethylphenyl)carbamothioyl-ethyl-amino]propanoic acid

Systemtic Name: 3-[(2,6-dimethylphenyl)carbamothioyl-ethyl-amino]propanoic acid Openeye Name: 3-[(2,6-dimethylphenyl)carbamothioyl-ethyl-amino]propanoic acid CAS Name: 3-[[(2,6-dimethylanilino)-sulfanylidenemethyl]-ethylamino]propanoic acid IUPAC Name: 3-[(2,6-dimethylphenyl)carbamothioyl-ethylamino]propanoic acid Traditional Name: 3-[(2,6-dimethylphenyl)thiocarbamoyl-ethyl-amino]propionic acid Formula: C14H20N2O2S MolecularWeight: 280.3858

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCC(=O)O)C(=S)NC1=C(C=CC=C1C)C

Isomeric SMILES

CCN(CCC(=O)O)C(=S)NC1=C(C=CC=C1C)C

InChI

InChI=1S/C14H20N2O2S/c1-4-16(9-8-12(17)18)14(19)15-13-10(2)6-5-7-11(13)3/h5-7H,4,8-9H2,1-3H3,(H,15,19)(H,17,18)