tert-butyl 2-butyl-5-methylsulfanyl-3-[[4-[2-(propylcarbamoylsulfamoyl)phenyl]phenyl]methyl]imidazole-4-carboxylate

Systemtic Name: tert-butyl 2-butyl-5-methylsulfanyl-3-[[4-[2-(propylcarbamoylsulfamoyl)phenyl]phenyl]methyl]imidazole-4-carboxylate Openeye Name: tert-butyl 2-butyl-5-methylsulfanyl-3-[[4-[2-(propylcarbamoylsulfamoyl)phenyl]phenyl]methyl]imidazole-4-carboxylate CAS Name: 2-butyl-5-(methylthio)-3-[[4-[2-[[oxo(propylamino)methyl]sulfamoyl]phenyl]phenyl]methyl]-4-imidazolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-butyl-5-methylsulfanyl-3-[[4-[2-(propylcarbamoylsulfamoyl)phenyl]phenyl]methyl]imidazole-4-carboxylate Traditional Name: 2-butyl-5-(methylthio)-3-[4-[2-(propylcarbamoylsulfamoyl)phenyl]benzyl]imidazole-4-carboxylic acid tert-butyl ester Formula: C30H40N4O5S2 MolecularWeight: 600.7924

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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)NCCC)C(=O)OC(C)(C)C)SC

Isomeric SMILES

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

InChI

InChI=1S/C30H40N4O5S2/c1-7-9-14-25-32-27(40-6)26(28(35)39-30(3,4)5)34(25)20-21-15-17-22(18-16-21)23-12-10-11-13-24(23)41(37,38)33-29(36)31-19-8-2/h10-13,15-18H,7-9,14,19-20H2,1-6H3,(H2,31,33,36)