2-[(2,6-dimethylphenyl)-propanethioyl-amino]propanoate

Systemtic Name: 2-[(2,6-dimethylphenyl)-propanethioyl-amino]propanoate Openeye Name: 2-(2,6-dimethyl-N-propanethioyl-anilino)propanoate CAS Name: 2-[2,6-dimethyl-N-(1-sulfanylidenepropyl)anilino]propanoate IUPAC Name: 2-(2,6-dimethyl-N-propanethioylanilino)propanoate Traditional Name: 2-(2,6-dimethyl-N-propanethioyl-anilino)propionate Formula: C14H18NO2S- MolecularWeight: 264.36322

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=S)N(C1=C(C=CC=C1C)C)C(C)C(=O)[O-]

Isomeric SMILES

CCC(=S)N(C1=C(C=CC=C1C)C)C(C)C(=O)[O-]

InChI

InChI=1S/C14H19NO2S/c1-5-12(18)15(11(4)14(16)17)13-9(2)7-6-8-10(13)3/h6-8,11H,5H2,1-4H3,(H,16,17)/p-1