ethyl 2-(2,1,3-benzothiadiazol-5-ylcarbonylcarbamothioylamino)-4-methyl-1,3-thiazole-5-carboxylate

Systemtic Name: ethyl 2-(2,1,3-benzothiadiazol-5-ylcarbonylcarbamothioylamino)-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: ethyl 2-(2,1,3-benzothiadiazole-5-carbonylcarbamothioylamino)-4-methyl-thiazole-5-carboxylate CAS Name: 2-[[[[2,1,3-benzothiadiazol-5-yl(oxo)methyl]amino]-sulfanylidenemethyl]amino]-4-methyl-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(2,1,3-benzothiadiazole-5-carbonylcarbamothioylamino)-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 4-methyl-2-(piazthiole-5-carbonylthiocarbamoylamino)thiazole-5-carboxylic acid ethyl ester Formula: C15H13N5O3S3 MolecularWeight: 407.49042

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(S1)NC(=S)NC(=O)C2=CC3=NSN=C3C=C2)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(S1)NC(=S)NC(=O)C2=CC3=NSN=C3C=C2)C

InChI

InChI=1S/C15H13N5O3S3/c1-3-23-13(22)11-7(2)16-15(25-11)18-14(24)17-12(21)8-4-5-9-10(6-8)20-26-19-9/h4-6H,3H2,1-2H3,(H2,16,17,18,21,24)