3-(methylcarbamothioylamino)benzoate

Systemtic Name: 3-(methylcarbamothioylamino)benzoate Openeye Name: 3-(methylcarbamothioylamino)benzoate CAS Name: 3-[[methylamino(sulfanylidene)methyl]amino]benzoate IUPAC Name: 3-(methylcarbamothioylamino)benzoate Traditional Name: 3-(methylthiocarbamoylamino)benzoate Formula: C9H9N2O2S- MolecularWeight: 209.24496

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)NC1=CC=CC(=C1)C(=O)[O-]

Isomeric SMILES

CNC(=S)NC1=CC=CC(=C1)C(=O)[O-]

InChI

InChI=1S/C9H10N2O2S/c1-10-9(14)11-7-4-2-3-6(5-7)8(12)13/h2-5H,1H3,(H,12,13)(H2,10,11,14)/p-1