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

Systemtic Name: ethyl 2-butyl-5-methylsulfanyl-3-[[4-[2-(propylcarbamoylcarbamoyl)phenyl]phenyl]methyl]imidazole-4-carboxylate Openeye Name: ethyl 2-butyl-5-methylsulfanyl-3-[[4-[2-(propylcarbamoylcarbamoyl)phenyl]phenyl]methyl]imidazole-4-carboxylate CAS Name: 2-butyl-5-(methylthio)-3-[[4-[2-[oxo-[[oxo(propylamino)methyl]amino]methyl]phenyl]phenyl]methyl]-4-imidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-butyl-5-methylsulfanyl-3-[[4-[2-(propylcarbamoylcarbamoyl)phenyl]phenyl]methyl]imidazole-4-carboxylate Traditional Name: 2-butyl-5-(methylthio)-3-[4-[2-(propylcarbamoylcarbamoyl)phenyl]benzyl]imidazole-4-carboxylic acid ethyl ester Formula: C29H36N4O4S MolecularWeight: 536.68554

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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)OCC)SC

Isomeric SMILES

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

InChI

InChI=1S/C29H36N4O4S/c1-5-8-13-24-31-27(38-4)25(28(35)37-7-3)33(24)19-20-14-16-21(17-15-20)22-11-9-10-12-23(22)26(34)32-29(36)30-18-6-2/h9-12,14-17H,5-8,13,18-19H2,1-4H3,(H2,30,32,34,36)