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

Systemtic Name: diethyl 3-methyl-5-[[4-(phenethylsulfamoyl)phenyl]carbamothioylamino]thiophene-2,4-dicarboxylate Openeye Name: diethyl 3-methyl-5-[[4-(phenethylsulfamoyl)phenyl]carbamothioylamino]thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[[4-(phenethylsulfamoyl)anilino]-sulfanylidenemethyl]amino]thiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 3-methyl-5-[[4-(phenethylsulfamoyl)phenyl]carbamothioylamino]thiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-[[4-(phenethylsulfamoyl)phenyl]thiocarbamoylamino]thiophene-2,4-dicarboxylic acid diethyl ester Formula: C26H29N3O6S3 MolecularWeight: 575.71996

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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)NCCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NCCC3=CC=CC=C3

InChI

InChI=1S/C26H29N3O6S3/c1-4-34-24(30)21-17(3)22(25(31)35-5-2)37-23(21)29-26(36)28-19-11-13-20(14-12-19)38(32,33)27-16-15-18-9-7-6-8-10-18/h6-14,27H,4-5,15-16H2,1-3H3,(H2,28,29,36)