diethyl 3-methyl-5-[[4-[(4-methylphenyl)sulfonylamino]phenyl]carbamothioylamino]thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 3-methyl-5-[[4-[(4-methylphenyl)sulfonylamino]phenyl]carbamothioylamino]thiophene-2,4-dicarboxylate Openeye Name: diethyl 3-methyl-5-[[4-(p-tolylsulfonylamino)phenyl]carbamothioylamino]thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[[4-[(4-methylphenyl)sulfonylamino]anilino]-sulfanylidenemethyl]amino]thiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 3-methyl-5-[[4-[(4-methylphenyl)sulfonylamino]phenyl]carbamothioylamino]thiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-[[4-(tosylamino)phenyl]thiocarbamoylamino]thiophene-2,4-dicarboxylic acid diethyl ester Formula: C25H27N3O6S3 MolecularWeight: 561.69338

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NC2=CC=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NC2=CC=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C25H27N3O6S3/c1-5-33-23(29)20-16(4)21(24(30)34-6-2)36-22(20)27-25(35)26-17-9-11-18(12-10-17)28-37(31,32)19-13-7-15(3)8-14-19/h7-14,28H,5-6H2,1-4H3,(H2,26,27,35)