ethyl 2-butyl-5-methylsulfanyl-3-[[4-[2-[(C-methylsulfanyl-N-propyl-carbonimidoyl)sulfamoyl]phenyl]phenyl]methyl]imidazole-4-carboxylate

Systemtic Name: ethyl 2-butyl-5-methylsulfanyl-3-[[4-[2-[(C-methylsulfanyl-N-propyl-carbonimidoyl)sulfamoyl]phenyl]phenyl]methyl]imidazole-4-carboxylate Openeye Name: ethyl 2-butyl-5-methylsulfanyl-3-[[4-[2-[(C-methylsulfanyl-N-propyl-carbonimidoyl)sulfamoyl]phenyl]phenyl]methyl]imidazole-4-carboxylate CAS Name: 2-butyl-5-(methylthio)-3-[[4-[2-[[(methylthio)-propyliminomethyl]sulfamoyl]phenyl]phenyl]methyl]-4-imidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-butyl-5-methylsulfanyl-3-[[4-[2-[(C-methylsulfanyl-N-propylcarbonimidoyl)sulfamoyl]phenyl]phenyl]methyl]imidazole-4-carboxylate Traditional Name: 2-butyl-5-(methylthio)-3-[4-[2-[[C-(methylthio)-N-propyl-carbonimidoyl]sulfamoyl]phenyl]benzyl]imidazole-4-carboxylic acid ethyl ester Formula: C29H38N4O4S3 MolecularWeight: 602.83142

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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(=NCCC)SC)C(=O)OCC)SC

Isomeric SMILES

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

InChI

InChI=1S/C29H38N4O4S3/c1-6-9-14-25-31-27(38-4)26(28(34)37-8-3)33(25)20-21-15-17-22(18-16-21)23-12-10-11-13-24(23)40(35,36)32-29(39-5)30-19-7-2/h10-13,15-18H,6-9,14,19-20H2,1-5H3,(H,30,32)