methyl 2-(2,1,3-benzothiadiazol-5-ylcarbonylcarbamothioylamino)benzoate

Systemtic Name: methyl 2-(2,1,3-benzothiadiazol-5-ylcarbonylcarbamothioylamino)benzoate Openeye Name: methyl 2-(2,1,3-benzothiadiazole-5-carbonylcarbamothioylamino)benzoate CAS Name: 2-[[[[2,1,3-benzothiadiazol-5-yl(oxo)methyl]amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-(2,1,3-benzothiadiazole-5-carbonylcarbamothioylamino)benzoate Traditional Name: 2-(piazthiole-5-carbonylthiocarbamoylamino)benzoic acid methyl ester Formula: C16H12N4O3S2 MolecularWeight: 372.42148

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=S)NC(=O)C2=CC3=NSN=C3C=C2

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=S)NC(=O)C2=CC3=NSN=C3C=C2

InChI

InChI=1S/C16H12N4O3S2/c1-23-15(22)10-4-2-3-5-11(10)17-16(24)18-14(21)9-6-7-12-13(8-9)20-25-19-12/h2-8H,1H3,(H2,17,18,21,24)