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

Systemtic Name: methyl 4-cyano-3-methyl-5-[[4-(phenylsulfamoyl)phenyl]carbamothioylamino]thiophene-2-carboxylate Openeye Name: methyl 4-cyano-3-methyl-5-[[4-(phenylsulfamoyl)phenyl]carbamothioylamino]thiophene-2-carboxylate CAS Name: 4-cyano-3-methyl-5-[[[4-(phenylsulfamoyl)anilino]-sulfanylidenemethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-cyano-3-methyl-5-[[4-(phenylsulfamoyl)phenyl]carbamothioylamino]thiophene-2-carboxylate Traditional Name: 4-cyano-3-methyl-5-[[4-(phenylsulfamoyl)phenyl]thiocarbamoylamino]thiophene-2-carboxylic acid methyl ester Formula: C21H18N4O4S3 MolecularWeight: 486.58702

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C#N)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C#N)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C21H18N4O4S3/c1-13-17(12-22)19(31-18(13)20(26)29-2)24-21(30)23-14-8-10-16(11-9-14)32(27,28)25-15-6-4-3-5-7-15/h3-11,25H,1-2H3,(H2,23,24,30)