methyl 1-[(4-chloranyl-3-sulfamoyl-phenyl)carbonylamino]-2-sulfanylidene-3H-benzimidazole-5-carboxylate

Systemtic Name: methyl 1-[(4-chloranyl-3-sulfamoyl-phenyl)carbonylamino]-2-sulfanylidene-3H-benzimidazole-5-carboxylate Openeye Name: methyl 1-[(4-chloro-3-sulfamoyl-benzoyl)amino]-2-thioxo-3H-benzimidazole-5-carboxylate CAS Name: 1-[[(4-chloro-3-sulfamoylphenyl)-oxomethyl]amino]-2-sulfanylidene-3H-benzimidazole-5-carboxylic acid methyl ester IUPAC Name: methyl 1-[(4-chloro-3-sulfamoylbenzoyl)amino]-2-sulfanylidene-3H-benzimidazole-5-carboxylate Traditional Name: 1-[(4-chloro-3-sulfamoyl-benzoyl)amino]-2-thioxo-3H-benzimidazole-5-carboxylic acid methyl ester Formula: C16H13ClN4O5S2 MolecularWeight: 440.88122

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)N(C(=S)N2)NC(=O)C3=CC(=C(C=C3)Cl)S(=O)(=O)N

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)N(C(=S)N2)NC(=O)C3=CC(=C(C=C3)Cl)S(=O)(=O)N

InChI

InChI=1S/C16H13ClN4O5S2/c1-26-15(23)9-3-5-12-11(6-9)19-16(27)21(12)20-14(22)8-2-4-10(17)13(7-8)28(18,24)25/h2-7H,1H3,(H,19,27)(H,20,22)(H2,18,24,25)