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

Systemtic Name: methyl 4,5-dimethyl-2-[[4-(phenylcarbonylsulfamoyl)phenyl]carbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 2-[[4-(benzoylsulfamoyl)phenyl]carbamothioylamino]-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[[[4-(benzoylsulfamoyl)anilino]-sulfanylidenemethyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[4-(benzoylsulfamoyl)phenyl]carbamothioylamino]-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-[[4-(benzoylsulfamoyl)phenyl]thiocarbamoylamino]-4,5-dimethyl-thiophene-3-carboxylic acid methyl ester Formula: C22H21N3O5S3 MolecularWeight: 503.61424

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21N3O5S3/c1-13-14(2)32-20(18(13)21(27)30-3)24-22(31)23-16-9-11-17(12-10-16)33(28,29)25-19(26)15-7-5-4-6-8-15/h4-12H,1-3H3,(H,25,26)(H2,23,24,31)