methyl 2-(butanoylcarbamothioylamino)benzoate

Systemtic Name: methyl 2-(butanoylcarbamothioylamino)benzoate Openeye Name: methyl 2-(butanoylcarbamothioylamino)benzoate CAS Name: 2-[[(1-oxobutylamino)-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-(butanoylcarbamothioylamino)benzoate Traditional Name: 2-(butyrylthiocarbamoylamino)benzoic acid methyl ester Formula: C13H16N2O3S MolecularWeight: 280.34274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC(=S)NC1=CC=CC=C1C(=O)OC

Isomeric SMILES

CCCC(=O)NC(=S)NC1=CC=CC=C1C(=O)OC

InChI

InChI=1S/C13H16N2O3S/c1-3-6-11(16)15-13(19)14-10-8-5-4-7-9(10)12(17)18-2/h4-5,7-8H,3,6H2,1-2H3,(H2,14,15,16,19)