methyl 5-methyl-2-[[4-(phenylcarbonylsulfamoyl)phenyl]carbamothioylamino]thiophene-3-carboxylate

Systemtic Name: methyl 5-methyl-2-[[4-(phenylcarbonylsulfamoyl)phenyl]carbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 2-[[4-(benzoylsulfamoyl)phenyl]carbamothioylamino]-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[[4-(benzoylsulfamoyl)anilino]-sulfanylidenemethyl]amino]-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[4-(benzoylsulfamoyl)phenyl]carbamothioylamino]-5-methylthiophene-3-carboxylate Traditional Name: 2-[[4-(benzoylsulfamoyl)phenyl]thiocarbamoylamino]-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C21H19N3O5S3 MolecularWeight: 489.58766

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC(=O)C3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CC1=CC(=C(S1)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC(=O)C3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C21H19N3O5S3/c1-13-12-17(20(26)29-2)19(31-13)23-21(30)22-15-8-10-16(11-9-15)32(27,28)24-18(25)14-6-4-3-5-7-14/h3-12H,1-2H3,(H,24,25)(H2,22,23,30)