ethyl 5-[(4-bromophenyl)carbonylamino]-2-methylsulfanyl-3-(phenylmethyl)imidazole-4-carboxylate

Systemtic Name: ethyl 5-[(4-bromophenyl)carbonylamino]-2-methylsulfanyl-3-(phenylmethyl)imidazole-4-carboxylate Openeye Name: ethyl 3-benzyl-5-[(4-bromobenzoyl)amino]-2-methylsulfanyl-imidazole-4-carboxylate CAS Name: 5-[[(4-bromophenyl)-oxomethyl]amino]-2-(methylthio)-3-(phenylmethyl)-4-imidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 3-benzyl-5-[(4-bromobenzoyl)amino]-2-methylsulfanylimidazole-4-carboxylate Traditional Name: 3-benzyl-5-[(4-bromobenzoyl)amino]-2-(methylthio)imidazole-4-carboxylic acid ethyl ester Formula: C21H20BrN3O3S MolecularWeight: 474.3708

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(N1CC2=CC=CC=C2)SC)NC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

CCOC(=O)C1=C(N=C(N1CC2=CC=CC=C2)SC)NC(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C21H20BrN3O3S/c1-3-28-20(27)17-18(23-19(26)15-9-11-16(22)12-10-15)24-21(29-2)25(17)13-14-7-5-4-6-8-14/h4-12H,3,13H2,1-2H3,(H,23,26)