[2-(2-methylpropylcarbamoylamino)-2-oxidanylidene-ethyl] 3-(4-fluorophenyl)-2-methylsulfanyl-imidazole-4-carboxylate

Systemtic Name: [2-(2-methylpropylcarbamoylamino)-2-oxidanylidene-ethyl] 3-(4-fluorophenyl)-2-methylsulfanyl-imidazole-4-carboxylate Openeye Name: [2-(isobutylcarbamoylamino)-2-oxo-ethyl] 3-(4-fluorophenyl)-2-methylsulfanyl-imidazole-4-carboxylate CAS Name: 3-(4-fluorophenyl)-2-(methylthio)-4-imidazolecarboxylic acid [2-[[(2-methylpropylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 3-(4-fluorophenyl)-2-methylsulfanylimidazole-4-carboxylate Traditional Name: 3-(4-fluorophenyl)-2-(methylthio)imidazole-4-carboxylic acid [2-(isobutylcarbamoylamino)-2-keto-ethyl] ester Formula: C18H21FN4O4S MolecularWeight: 408.447143

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)NC(=O)COC(=O)C1=CN=C(N1C2=CC=C(C=C2)F)SC

Isomeric SMILES

CC(C)CNC(=O)NC(=O)COC(=O)C1=CN=C(N1C2=CC=C(C=C2)F)SC

InChI

InChI=1S/C18H21FN4O4S/c1-11(2)8-20-17(26)22-15(24)10-27-16(25)14-9-21-18(28-3)23(14)13-6-4-12(19)5-7-13/h4-7,9,11H,8,10H2,1-3H3,(H2,20,22,24,26)