3-(butanoylcarbamothioylamino)-4-methoxy-benzoate

Systemtic Name: 3-(butanoylcarbamothioylamino)-4-methoxy-benzoate Openeye Name: 3-(butanoylcarbamothioylamino)-4-methoxy-benzoate CAS Name: 4-methoxy-3-[[(1-oxobutylamino)-sulfanylidenemethyl]amino]benzoate IUPAC Name: 3-(butanoylcarbamothioylamino)-4-methoxybenzoate Traditional Name: 3-(butyrylthiocarbamoylamino)-4-methoxy-benzoate Formula: C13H15N2O4S- MolecularWeight: 295.3342

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC(=S)NC1=C(C=CC(=C1)C(=O)[O-])OC

Isomeric SMILES

CCCC(=O)NC(=S)NC1=C(C=CC(=C1)C(=O)[O-])OC

InChI

InChI=1S/C13H16N2O4S/c1-3-4-11(16)15-13(20)14-9-7-8(12(17)18)5-6-10(9)19-2/h5-7H,3-4H2,1-2H3,(H,17,18)(H2,14,15,16,20)/p-1