methyl (2R)-2-(4-fluorophenyl)-2-[4-(2-methylsulfanyl-3-phenyl-imidazol-4-yl)carbonylpiperazin-1-yl]ethanoate

Systemtic Name: methyl (2R)-2-(4-fluorophenyl)-2-[4-(2-methylsulfanyl-3-phenyl-imidazol-4-yl)carbonylpiperazin-1-yl]ethanoate Openeye Name: methyl (2R)-2-(4-fluorophenyl)-2-[4-(2-methylsulfanyl-3-phenyl-imidazole-4-carbonyl)piperazin-1-yl]acetate CAS Name: (2R)-2-(4-fluorophenyl)-2-[4-[[2-(methylthio)-3-phenyl-4-imidazolyl]-oxomethyl]-1-piperazinyl]acetic acid methyl ester IUPAC Name: methyl (2R)-2-(4-fluorophenyl)-2-[4-(2-methylsulfanyl-3-phenylimidazole-4-carbonyl)piperazin-1-yl]acetate Traditional Name: (2R)-2-(4-fluorophenyl)-2-[4-[2-(methylthio)-3-phenyl-imidazole-4-carbonyl]piperazino]acetic acid methyl ester Formula: C24H25FN4O3S MolecularWeight: 468.543703

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C1=CC=C(C=C1)F)N2CCN(CC2)C(=O)C3=CN=C(N3C4=CC=CC=C4)SC

Isomeric SMILES

COC(=O)[C@@H](C1=CC=C(C=C1)F)N2CCN(CC2)C(=O)C3=CN=C(N3C4=CC=CC=C4)SC

InChI

InChI=1S/C24H25FN4O3S/c1-32-23(31)21(17-8-10-18(25)11-9-17)27-12-14-28(15-13-27)22(30)20-16-26-24(33-2)29(20)19-6-4-3-5-7-19/h3-11,16,21H,12-15H2,1-2H3/t21-/m1/s1