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

Systemtic Name: ethyl 3-[[4-(2-aminocarbonylphenyl)phenyl]methyl]-2-butyl-5-methylsulfanyl-imidazole-4-carboxylate Openeye Name: ethyl 2-butyl-3-[[4-(2-carbamoylphenyl)phenyl]methyl]-5-methylsulfanyl-imidazole-4-carboxylate CAS Name: 2-butyl-3-[[4-(2-carbamoylphenyl)phenyl]methyl]-5-(methylthio)-4-imidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-butyl-3-[[4-(2-carbamoylphenyl)phenyl]methyl]-5-methylsulfanylimidazole-4-carboxylate Traditional Name: 2-butyl-3-[4-(2-carbamoylphenyl)benzyl]-5-(methylthio)imidazole-4-carboxylic acid ethyl ester Formula: C25H29N3O3S MolecularWeight: 451.58106

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H29N3O3S/c1-4-6-11-21-27-24(32-3)22(25(30)31-5-2)28(21)16-17-12-14-18(15-13-17)19-9-7-8-10-20(19)23(26)29/h7-10,12-15H,4-6,11,16H2,1-3H3,(H2,26,29)