ethyl 2-butyl-5-methylsulfanyl-3-[[4-[2-(prop-2-enylcarbamoylsulfamoyl)phenyl]phenyl]methyl]imidazole-4-carboxylate

Systemtic Name: ethyl 2-butyl-5-methylsulfanyl-3-[[4-[2-(prop-2-enylcarbamoylsulfamoyl)phenyl]phenyl]methyl]imidazole-4-carboxylate Openeye Name: ethyl 3-[[4-[2-(allylcarbamoylsulfamoyl)phenyl]phenyl]methyl]-2-butyl-5-methylsulfanyl-imidazole-4-carboxylate CAS Name: 2-butyl-5-(methylthio)-3-[[4-[2-[[oxo-(prop-2-enylamino)methyl]sulfamoyl]phenyl]phenyl]methyl]-4-imidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-butyl-5-methylsulfanyl-3-[[4-[2-(prop-2-enylcarbamoylsulfamoyl)phenyl]phenyl]methyl]imidazole-4-carboxylate Traditional Name: 3-[4-[2-(allylcarbamoylsulfamoyl)phenyl]benzyl]-2-butyl-5-(methylthio)imidazole-4-carboxylic acid ethyl ester Formula: C28H34N4O5S2 MolecularWeight: 570.72336

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3S(=O)(=O)NC(=O)NCC=C)C(=O)OCC)SC

Isomeric SMILES

CCCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3S(=O)(=O)NC(=O)NCC=C)C(=O)OCC)SC

InChI

InChI=1S/C28H34N4O5S2/c1-5-8-13-24-30-26(38-4)25(27(33)37-7-3)32(24)19-20-14-16-21(17-15-20)22-11-9-10-12-23(22)39(35,36)31-28(34)29-18-6-2/h6,9-12,14-17H,2,5,7-8,13,18-19H2,1,3-4H3,(H2,29,31,34)