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

Systemtic Name: ethyl 2-butyl-5-methylsulfanyl-3-[[4-[2-(propylcarbamothioylsulfamoyl)phenyl]phenyl]methyl]imidazole-4-carboxylate Openeye Name: ethyl 2-butyl-5-methylsulfanyl-3-[[4-[2-(propylcarbamothioylsulfamoyl)phenyl]phenyl]methyl]imidazole-4-carboxylate CAS Name: 2-butyl-5-(methylthio)-3-[[4-[2-[[propylamino(sulfanylidene)methyl]sulfamoyl]phenyl]phenyl]methyl]-4-imidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-butyl-5-methylsulfanyl-3-[[4-[2-(propylcarbamothioylsulfamoyl)phenyl]phenyl]methyl]imidazole-4-carboxylate Traditional Name: 2-butyl-5-(methylthio)-3-[4-[2-(propylthiocarbamoylsulfamoyl)phenyl]benzyl]imidazole-4-carboxylic acid ethyl ester Formula: C28H36N4O4S3 MolecularWeight: 588.80484

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H36N4O4S3/c1-5-8-13-24-30-26(38-4)25(27(33)36-7-3)32(24)19-20-14-16-21(17-15-20)22-11-9-10-12-23(22)39(34,35)31-28(37)29-18-6-2/h9-12,14-17H,5-8,13,18-19H2,1-4H3,(H2,29,31,37)