methyl 4-(2-methylpropanoylcarbamothioylamino)benzoate

Systemtic Name: methyl 4-(2-methylpropanoylcarbamothioylamino)benzoate Openeye Name: methyl 4-(2-methylpropanoylcarbamothioylamino)benzoate CAS Name: 4-[[[(2-methyl-1-oxopropyl)amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-(2-methylpropanoylcarbamothioylamino)benzoate Traditional Name: 4-(isobutyrylthiocarbamoylamino)benzoic acid methyl ester Formula: C13H16N2O3S MolecularWeight: 280.34274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC(=S)NC1=CC=C(C=C1)C(=O)OC

Isomeric SMILES

CC(C)C(=O)NC(=S)NC1=CC=C(C=C1)C(=O)OC

InChI

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