dimethyl 3-methyl-5-[[4-(phenylsulfamoyl)phenyl]carbamothioylamino]thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 3-methyl-5-[[4-(phenylsulfamoyl)phenyl]carbamothioylamino]thiophene-2,4-dicarboxylate Openeye Name: dimethyl 3-methyl-5-[[4-(phenylsulfamoyl)phenyl]carbamothioylamino]thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[[4-(phenylsulfamoyl)anilino]-sulfanylidenemethyl]amino]thiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 3-methyl-5-[[4-(phenylsulfamoyl)phenyl]carbamothioylamino]thiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-[[4-(phenylsulfamoyl)phenyl]thiocarbamoylamino]thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C22H21N3O6S3 MolecularWeight: 519.61364

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21N3O6S3/c1-13-17(20(26)30-2)19(33-18(13)21(27)31-3)24-22(32)23-14-9-11-16(12-10-14)34(28,29)25-15-7-5-4-6-8-15/h4-12,25H,1-3H3,(H2,23,24,32)