ethyl 2-methylsulfanyl-3-phenyl-5-(2-phenylbutanoylamino)imidazole-4-carboxylate

Systemtic Name: ethyl 2-methylsulfanyl-3-phenyl-5-(2-phenylbutanoylamino)imidazole-4-carboxylate Openeye Name: ethyl 2-methylsulfanyl-3-phenyl-5-(2-phenylbutanoylamino)imidazole-4-carboxylate CAS Name: 2-(methylthio)-5-[(1-oxo-2-phenylbutyl)amino]-3-phenyl-4-imidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-methylsulfanyl-3-phenyl-5-(2-phenylbutanoylamino)imidazole-4-carboxylate Traditional Name: 2-(methylthio)-3-phenyl-5-(2-phenylbutanoylamino)imidazole-4-carboxylic acid ethyl ester Formula: C23H25N3O3S MolecularWeight: 423.5279

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)C(=O)NC2=C(N(C(=N2)SC)C3=CC=CC=C3)C(=O)OCC

Isomeric SMILES

CCC(C1=CC=CC=C1)C(=O)NC2=C(N(C(=N2)SC)C3=CC=CC=C3)C(=O)OCC

InChI

InChI=1S/C23H25N3O3S/c1-4-18(16-12-8-6-9-13-16)21(27)24-20-19(22(28)29-5-2)26(23(25-20)30-3)17-14-10-7-11-15-17/h6-15,18H,4-5H2,1-3H3,(H,24,27)