methyl 4-(ethanoylcarbamothioylamino)benzoate

Systemtic Name: methyl 4-(ethanoylcarbamothioylamino)benzoate Openeye Name: methyl 4-(acetylcarbamothioylamino)benzoate CAS Name: 4-[[acetamido(sulfanylidene)methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-(acetylcarbamothioylamino)benzoate Traditional Name: 4-(acetylthiocarbamoylamino)benzoic acid methyl ester Formula: C11H12N2O3S MolecularWeight: 252.28958

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H12N2O3S/c1-7(14)12-11(17)13-9-5-3-8(4-6-9)10(15)16-2/h3-6H,1-2H3,(H2,12,13,14,17)