methyl 3-[(4-sulfamoylphenyl)carbamothioylamino]thiophene-2-carboxylate

Systemtic Name: methyl 3-[(4-sulfamoylphenyl)carbamothioylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[(4-sulfamoylphenyl)carbamothioylamino]thiophene-2-carboxylate CAS Name: 3-[[(4-sulfamoylanilino)-sulfanylidenemethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[(4-sulfamoylphenyl)carbamothioylamino]thiophene-2-carboxylate Traditional Name: 3-[(4-sulfamoylphenyl)thiocarbamoylamino]thiophene-2-carboxylic acid methyl ester Formula: C13H13N3O4S3 MolecularWeight: 371.45502

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CS1)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N

Isomeric SMILES

COC(=O)C1=C(C=CS1)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N

InChI

InChI=1S/C13H13N3O4S3/c1-20-12(17)11-10(6-7-22-11)16-13(21)15-8-2-4-9(5-3-8)23(14,18)19/h2-7H,1H3,(H2,14,18,19)(H2,15,16,21)