N-(2,1,3-benzothiadiazol-4-ylcarbamothioyl)-3-methyl-butanamide

Systemtic Name: N-(2,1,3-benzothiadiazol-4-ylcarbamothioyl)-3-methyl-butanamide Openeye Name: N-(2,1,3-benzothiadiazol-4-ylcarbamothioyl)-3-methyl-butanamide CAS Name: N-[(2,1,3-benzothiadiazol-4-ylamino)-sulfanylidenemethyl]-3-methylbutanamide IUPAC Name: N-(2,1,3-benzothiadiazol-4-ylcarbamothioyl)-3-methylbutanamide Traditional Name: 3-methyl-N-(piazthiol-4-ylthiocarbamoyl)butyramide Formula: C12H14N4OS2 MolecularWeight: 294.39576

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC(=S)NC1=CC=CC2=NSN=C21

Isomeric SMILES

CC(C)CC(=O)NC(=S)NC1=CC=CC2=NSN=C21

InChI

InChI=1S/C12H14N4OS2/c1-7(2)6-10(17)14-12(18)13-8-4-3-5-9-11(8)16-19-15-9/h3-5,7H,6H2,1-2H3,(H2,13,14,17,18)