methyl 1-[[3-(4-fluorophenyl)-2-methylsulfanyl-imidazol-4-yl]carbonylamino]cyclohexane-1-carboxylate

Systemtic Name: methyl 1-[[3-(4-fluorophenyl)-2-methylsulfanyl-imidazol-4-yl]carbonylamino]cyclohexane-1-carboxylate Openeye Name: methyl 1-[[3-(4-fluorophenyl)-2-methylsulfanyl-imidazole-4-carbonyl]amino]cyclohexanecarboxylate CAS Name: 1-[[[3-(4-fluorophenyl)-2-(methylthio)-4-imidazolyl]-oxomethyl]amino]-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 1-[[3-(4-fluorophenyl)-2-methylsulfanylimidazole-4-carbonyl]amino]cyclohexane-1-carboxylate Traditional Name: 1-[[3-(4-fluorophenyl)-2-(methylthio)imidazole-4-carbonyl]amino]cyclohexanecarboxylic acid methyl ester Formula: C19H22FN3O3S MolecularWeight: 391.459683

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CCCCC1)NC(=O)C2=CN=C(N2C3=CC=C(C=C3)F)SC

Isomeric SMILES

COC(=O)C1(CCCCC1)NC(=O)C2=CN=C(N2C3=CC=C(C=C3)F)SC

InChI

InChI=1S/C19H22FN3O3S/c1-26-17(25)19(10-4-3-5-11-19)22-16(24)15-12-21-18(27-2)23(15)14-8-6-13(20)7-9-14/h6-9,12H,3-5,10-11H2,1-2H3,(H,22,24)