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

Systemtic Name: methyl 4-(2,1,3-benzothiadiazol-5-ylcarbonylcarbamothioylamino)benzoate Openeye Name: methyl 4-(2,1,3-benzothiadiazole-5-carbonylcarbamothioylamino)benzoate CAS Name: 4-[[[[2,1,3-benzothiadiazol-5-yl(oxo)methyl]amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-(2,1,3-benzothiadiazole-5-carbonylcarbamothioylamino)benzoate Traditional Name: 4-(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=C(C=C1)NC(=S)NC(=O)C2=CC3=NSN=C3C=C2

Isomeric SMILES

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

InChI

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