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

Systemtic Name: ethyl 4-(2,1,3-benzothiadiazol-5-ylcarbamothioyl)piperazine-1-carboxylate Openeye Name: ethyl 4-(2,1,3-benzothiadiazol-5-ylcarbamothioyl)piperazine-1-carboxylate CAS Name: 4-[(2,1,3-benzothiadiazol-5-ylamino)-sulfanylidenemethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(2,1,3-benzothiadiazol-5-ylcarbamothioyl)piperazine-1-carboxylate Traditional Name: 4-(piazthiol-5-ylthiocarbamoyl)piperazine-1-carboxylic acid ethyl ester Formula: C14H17N5O2S2 MolecularWeight: 351.44708

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=S)NC2=CC3=NSN=C3C=C2

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=S)NC2=CC3=NSN=C3C=C2

InChI

InChI=1S/C14H17N5O2S2/c1-2-21-14(20)19-7-5-18(6-8-19)13(22)15-10-3-4-11-12(9-10)17-23-16-11/h3-4,9H,2,5-8H2,1H3,(H,15,22)