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

Systemtic Name: ethyl 2-methylsulfanyl-5-(2-phenylbutanoylamino)-3-(phenylmethyl)imidazole-4-carboxylate Openeye Name: ethyl 3-benzyl-2-methylsulfanyl-5-(2-phenylbutanoylamino)imidazole-4-carboxylate CAS Name: 2-(methylthio)-5-[(1-oxo-2-phenylbutyl)amino]-3-(phenylmethyl)-4-imidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 3-benzyl-2-methylsulfanyl-5-(2-phenylbutanoylamino)imidazole-4-carboxylate Traditional Name: 3-benzyl-2-(methylthio)-5-(2-phenylbutanoylamino)imidazole-4-carboxylic acid ethyl ester Formula: C24H27N3O3S MolecularWeight: 437.55448

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)C(=O)NC2=C(N(C(=N2)SC)CC3=CC=CC=C3)C(=O)OCC

Isomeric SMILES

CCC(C1=CC=CC=C1)C(=O)NC2=C(N(C(=N2)SC)CC3=CC=CC=C3)C(=O)OCC

InChI

InChI=1S/C24H27N3O3S/c1-4-19(18-14-10-7-11-15-18)22(28)25-21-20(23(29)30-5-2)27(24(26-21)31-3)16-17-12-8-6-9-13-17/h6-15,19H,4-5,16H2,1-3H3,(H,25,28)