5-methylsulfanyl-3-[[4-phenyl-3-(propylcarbamoylsulfamoyl)phenyl]methyl]-2-propyl-imidazole-4-carboxylic acid

Systemtic Name: 5-methylsulfanyl-3-[[4-phenyl-3-(propylcarbamoylsulfamoyl)phenyl]methyl]-2-propyl-imidazole-4-carboxylic acid Openeye Name: 5-methylsulfanyl-3-[[4-phenyl-3-(propylcarbamoylsulfamoyl)phenyl]methyl]-2-propyl-imidazole-4-carboxylic acid CAS Name: 5-(methylthio)-3-[[3-[[oxo(propylamino)methyl]sulfamoyl]-4-phenylphenyl]methyl]-2-propyl-4-imidazolecarboxylic acid IUPAC Name: 5-methylsulfanyl-3-[[4-phenyl-3-(propylcarbamoylsulfamoyl)phenyl]methyl]-2-propylimidazole-4-carboxylic acid Traditional Name: 5-(methylthio)-3-[4-phenyl-3-(propylcarbamoylsulfamoyl)benzyl]-2-propyl-imidazole-4-carboxylic acid Formula: C25H30N4O5S2 MolecularWeight: 530.6595

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=C(N1CC2=CC(=C(C=C2)C3=CC=CC=C3)S(=O)(=O)NC(=O)NCCC)C(=O)O)SC

Isomeric SMILES

CCCC1=NC(=C(N1CC2=CC(=C(C=C2)C3=CC=CC=C3)S(=O)(=O)NC(=O)NCCC)C(=O)O)SC

InChI

InChI=1S/C25H30N4O5S2/c1-4-9-21-27-23(35-3)22(24(30)31)29(21)16-17-12-13-19(18-10-7-6-8-11-18)20(15-17)36(33,34)28-25(32)26-14-5-2/h6-8,10-13,15H,4-5,9,14,16H2,1-3H3,(H,30,31)(H2,26,28,32)