[1-oxidanylidene-1-[(phenylmethyl)carbamoylamino]propan-2-yl] 3-(4-fluorophenyl)-2-methylsulfanyl-imidazole-4-carboxylate

Systemtic Name: [1-oxidanylidene-1-[(phenylmethyl)carbamoylamino]propan-2-yl] 3-(4-fluorophenyl)-2-methylsulfanyl-imidazole-4-carboxylate Openeye Name: [2-(benzylcarbamoylamino)-1-methyl-2-oxo-ethyl] 3-(4-fluorophenyl)-2-methylsulfanyl-imidazole-4-carboxylate CAS Name: 3-(4-fluorophenyl)-2-(methylthio)-4-imidazolecarboxylic acid [1-oxo-1-[[oxo-[(phenylmethyl)amino]methyl]amino]propan-2-yl] ester IUPAC Name: [1-(benzylcarbamoylamino)-1-oxopropan-2-yl] 3-(4-fluorophenyl)-2-methylsulfanylimidazole-4-carboxylate Traditional Name: 3-(4-fluorophenyl)-2-(methylthio)imidazole-4-carboxylic acid [2-(benzylcarbamoylamino)-2-keto-1-methyl-ethyl] ester Formula: C22H21FN4O4S MolecularWeight: 456.489943

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NCC1=CC=CC=C1)OC(=O)C2=CN=C(N2C3=CC=C(C=C3)F)SC

Isomeric SMILES

CC(C(=O)NC(=O)NCC1=CC=CC=C1)OC(=O)C2=CN=C(N2C3=CC=C(C=C3)F)SC

InChI

InChI=1S/C22H21FN4O4S/c1-14(19(28)26-21(30)24-12-15-6-4-3-5-7-15)31-20(29)18-13-25-22(32-2)27(18)17-10-8-16(23)9-11-17/h3-11,13-14H,12H2,1-2H3,(H2,24,26,28,30)