ethyl 2-butyl-1-methylsulfanyl-3-[[4-[2-(prop-2-enylcarbamoylsulfamoyl)phenyl]phenyl]methyl]-2H-imidazole-4-carboxylate

Systemtic Name: ethyl 2-butyl-1-methylsulfanyl-3-[[4-[2-(prop-2-enylcarbamoylsulfamoyl)phenyl]phenyl]methyl]-2H-imidazole-4-carboxylate Openeye Name: ethyl 3-[[4-[2-(allylcarbamoylsulfamoyl)phenyl]phenyl]methyl]-2-butyl-1-methylsulfanyl-2H-imidazole-4-carboxylate CAS Name: 2-butyl-1-(methylthio)-3-[[4-[2-[[oxo-(prop-2-enylamino)methyl]sulfamoyl]phenyl]phenyl]methyl]-2H-imidazole-4-carboxylic acid ethyl ester IUPAC Name: ethyl 2-butyl-1-methylsulfanyl-3-[[4-[2-(prop-2-enylcarbamoylsulfamoyl)phenyl]phenyl]methyl]-2H-imidazole-4-carboxylate Traditional Name: 3-[4-[2-(allylcarbamoylsulfamoyl)phenyl]benzyl]-2-butyl-1-(methylthio)-4-imidazoline-4-carboxylic acid ethyl ester Formula: C28H36N4O5S2 MolecularWeight: 572.73924

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1N(C=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3S(=O)(=O)NC(=O)NCC=C)C(=O)OCC)SC

Isomeric SMILES

CCCCC1N(C=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3S(=O)(=O)NC(=O)NCC=C)C(=O)OCC)SC

InChI

InChI=1S/C28H36N4O5S2/c1-5-8-13-26-31(24(20-32(26)38-4)27(33)37-7-3)19-21-14-16-22(17-15-21)23-11-9-10-12-25(23)39(35,36)30-28(34)29-18-6-2/h6,9-12,14-17,20,26H,2,5,7-8,13,18-19H2,1,3-4H3,(H2,29,30,34)