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

Systemtic Name: dimethyl 5-[[4-[(4-chlorophenyl)sulfamoyl]phenyl]carbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-[[4-[(4-chlorophenyl)sulfamoyl]phenyl]carbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[[4-[(4-chlorophenyl)sulfamoyl]anilino]-sulfanylidenemethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[4-[(4-chlorophenyl)sulfamoyl]phenyl]carbamothioylamino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[[4-[(4-chlorophenyl)sulfamoyl]phenyl]thiocarbamoylamino]-3-methyl-thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C22H20ClN3O6S3 MolecularWeight: 554.0587

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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=C(C=C3)Cl)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C22H20ClN3O6S3/c1-12-17(20(27)31-2)19(34-18(12)21(28)32-3)25-22(33)24-14-8-10-16(11-9-14)35(29,30)26-15-6-4-13(23)5-7-15/h4-11,26H,1-3H3,(H2,24,25,33)