[1-[cyclohexyl(methyl)amino]-1-oxidanylidene-propan-2-yl] 2-methylsulfanyl-3-phenyl-imidazole-4-carboxylate

Systemtic Name: [1-[cyclohexyl(methyl)amino]-1-oxidanylidene-propan-2-yl] 2-methylsulfanyl-3-phenyl-imidazole-4-carboxylate Openeye Name: [2-[cyclohexyl(methyl)amino]-1-methyl-2-oxo-ethyl] 2-methylsulfanyl-3-phenyl-imidazole-4-carboxylate CAS Name: 2-(methylthio)-3-phenyl-4-imidazolecarboxylic acid [1-[cyclohexyl(methyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[cyclohexyl(methyl)amino]-1-oxopropan-2-yl] 2-methylsulfanyl-3-phenylimidazole-4-carboxylate Traditional Name: 2-(methylthio)-3-phenyl-imidazole-4-carboxylic acid [2-[cyclohexyl(methyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C21H27N3O3S MolecularWeight: 401.52238

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(C)C1CCCCC1)OC(=O)C2=CN=C(N2C3=CC=CC=C3)SC

Isomeric SMILES

CC(C(=O)N(C)C1CCCCC1)OC(=O)C2=CN=C(N2C3=CC=CC=C3)SC

InChI

InChI=1S/C21H27N3O3S/c1-15(19(25)23(2)16-10-6-4-7-11-16)27-20(26)18-14-22-21(28-3)24(18)17-12-8-5-9-13-17/h5,8-9,12-16H,4,6-7,10-11H2,1-3H3