2-butyl-5-methylsulfanyl-3-[[4-[2-(propylcarbamoylcarbamoyl)phenyl]phenyl]methyl]imidazole-4-carboxylic acid

Systemtic Name: 2-butyl-5-methylsulfanyl-3-[[4-[2-(propylcarbamoylcarbamoyl)phenyl]phenyl]methyl]imidazole-4-carboxylic acid Openeye Name: 2-butyl-5-methylsulfanyl-3-[[4-[2-(propylcarbamoylcarbamoyl)phenyl]phenyl]methyl]imidazole-4-carboxylic acid CAS Name: 2-butyl-5-(methylthio)-3-[[4-[2-[oxo-[[oxo(propylamino)methyl]amino]methyl]phenyl]phenyl]methyl]-4-imidazolecarboxylic acid IUPAC Name: 2-butyl-5-methylsulfanyl-3-[[4-[2-(propylcarbamoylcarbamoyl)phenyl]phenyl]methyl]imidazole-4-carboxylic acid Traditional Name: 2-butyl-5-(methylthio)-3-[4-[2-(propylcarbamoylcarbamoyl)phenyl]benzyl]imidazole-4-carboxylic acid Formula: C27H32N4O4S MolecularWeight: 508.63238

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)NC(=O)NCCC)C(=O)O)SC

Isomeric SMILES

CCCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)NC(=O)NCCC)C(=O)O)SC

InChI

InChI=1S/C27H32N4O4S/c1-4-6-11-22-29-25(36-3)23(26(33)34)31(22)17-18-12-14-19(15-13-18)20-9-7-8-10-21(20)24(32)30-27(35)28-16-5-2/h7-10,12-15H,4-6,11,16-17H2,1-3H3,(H,33,34)(H2,28,30,32,35)