ethyl 1-(2,1,3-benzothiadiazol-5-ylcarbamothioyl)piperidine-4-carboxylate

Systemtic Name: ethyl 1-(2,1,3-benzothiadiazol-5-ylcarbamothioyl)piperidine-4-carboxylate Openeye Name: ethyl 1-(2,1,3-benzothiadiazol-5-ylcarbamothioyl)piperidine-4-carboxylate CAS Name: 1-[(2,1,3-benzothiadiazol-5-ylamino)-sulfanylidenemethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(2,1,3-benzothiadiazol-5-ylcarbamothioyl)piperidine-4-carboxylate Traditional Name: 1-(piazthiol-5-ylthiocarbamoyl)isonipecotic acid ethyl ester Formula: C15H18N4O2S2 MolecularWeight: 350.45902

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=S)NC2=CC3=NSN=C3C=C2

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=S)NC2=CC3=NSN=C3C=C2

InChI

InChI=1S/C15H18N4O2S2/c1-2-21-14(20)10-5-7-19(8-6-10)15(22)16-11-3-4-12-13(9-11)18-23-17-12/h3-4,9-10H,2,5-8H2,1H3,(H,16,22)