ethyl 5-[(4-chlorophenyl)carbonylamino]-3-(3-methylbutyl)-2-methylsulfanyl-imidazole-4-carboxylate

Systemtic Name: ethyl 5-[(4-chlorophenyl)carbonylamino]-3-(3-methylbutyl)-2-methylsulfanyl-imidazole-4-carboxylate Openeye Name: ethyl 5-[(4-chlorobenzoyl)amino]-3-isopentyl-2-methylsulfanyl-imidazole-4-carboxylate CAS Name: 5-[[(4-chlorophenyl)-oxomethyl]amino]-3-(3-methylbutyl)-2-(methylthio)-4-imidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(4-chlorobenzoyl)amino]-3-(3-methylbutyl)-2-methylsulfanylimidazole-4-carboxylate Traditional Name: 5-[(4-chlorobenzoyl)amino]-3-isoamyl-2-(methylthio)imidazole-4-carboxylic acid ethyl ester Formula: C19H24ClN3O3S MolecularWeight: 409.93016

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(N1CCC(C)C)SC)NC(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

CCOC(=O)C1=C(N=C(N1CCC(C)C)SC)NC(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C19H24ClN3O3S/c1-5-26-18(25)15-16(21-17(24)13-6-8-14(20)9-7-13)22-19(27-4)23(15)11-10-12(2)3/h6-9,12H,5,10-11H2,1-4H3,(H,21,24)