methyl 5-(dimethylcarbamoyl)-4-methyl-2-[[4-(phenethylsulfamoyl)phenyl]carbamothioylamino]thiophene-3-carboxylate

Systemtic Name: methyl 5-(dimethylcarbamoyl)-4-methyl-2-[[4-(phenethylsulfamoyl)phenyl]carbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 5-(dimethylcarbamoyl)-4-methyl-2-[[4-(phenethylsulfamoyl)phenyl]carbamothioylamino]thiophene-3-carboxylate CAS Name: 5-[dimethylamino(oxo)methyl]-4-methyl-2-[[[4-(phenethylsulfamoyl)anilino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-(dimethylcarbamoyl)-4-methyl-2-[[4-(phenethylsulfamoyl)phenyl]carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-(dimethylcarbamoyl)-4-methyl-2-[[4-(phenethylsulfamoyl)phenyl]thiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C25H28N4O5S3 MolecularWeight: 560.70862

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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)NCCC3=CC=CC=C3)C(=O)N(C)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NCCC3=CC=CC=C3)C(=O)N(C)C

InChI

InChI=1S/C25H28N4O5S3/c1-16-20(24(31)34-4)22(36-21(16)23(30)29(2)3)28-25(35)27-18-10-12-19(13-11-18)37(32,33)26-15-14-17-8-6-5-7-9-17/h5-13,26H,14-15H2,1-4H3,(H2,27,28,35)