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

Systemtic Name: methyl 2-(2,1,3-benzothiadiazol-5-ylcarbonylcarbamothioylamino)-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C14H11N5O3S3 MolecularWeight: 393.46384

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC(=S)NC(=O)C2=CC3=NSN=C3C=C2)C(=O)OC

Isomeric SMILES

CC1=C(SC(=N1)NC(=S)NC(=O)C2=CC3=NSN=C3C=C2)C(=O)OC

InChI

InChI=1S/C14H11N5O3S3/c1-6-10(12(21)22-2)24-14(15-6)17-13(23)16-11(20)7-3-4-8-9(5-7)19-25-18-8/h3-5H,1-2H3,(H2,15,16,17,20,23)