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

Systemtic Name: diethyl 3-methyl-5-[[4-[(phenylmethyl)sulfamoyl]phenyl]carbamothioylamino]thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[[4-(benzylsulfamoyl)phenyl]carbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[[4-[(phenylmethyl)sulfamoyl]anilino]-sulfanylidenemethyl]amino]thiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[[4-(benzylsulfamoyl)phenyl]carbamothioylamino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[[4-(benzylsulfamoyl)phenyl]thiocarbamoylamino]-3-methyl-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)S(=O)(=O)NCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C25H27N3O6S3/c1-4-33-23(29)20-16(3)21(24(30)34-5-2)36-22(20)28-25(35)27-18-11-13-19(14-12-18)37(31,32)26-15-17-9-7-6-8-10-17/h6-14,26H,4-5,15H2,1-3H3,(H2,27,28,35)