methyl 1-(2-methylsulfanyl-3-phenyl-imidazol-4-yl)carbonyl-4-phenyl-piperidine-4-carboxylate

Systemtic Name: methyl 1-(2-methylsulfanyl-3-phenyl-imidazol-4-yl)carbonyl-4-phenyl-piperidine-4-carboxylate Openeye Name: methyl 1-(2-methylsulfanyl-3-phenyl-imidazole-4-carbonyl)-4-phenyl-piperidine-4-carboxylate CAS Name: 1-[[2-(methylthio)-3-phenyl-4-imidazolyl]-oxomethyl]-4-phenyl-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-(2-methylsulfanyl-3-phenylimidazole-4-carbonyl)-4-phenylpiperidine-4-carboxylate Traditional Name: 1-[2-(methylthio)-3-phenyl-imidazole-4-carbonyl]-4-phenyl-isonipecotic acid methyl ester Formula: C24H25N3O3S MolecularWeight: 435.5386

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CCN(CC1)C(=O)C2=CN=C(N2C3=CC=CC=C3)SC)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1(CCN(CC1)C(=O)C2=CN=C(N2C3=CC=CC=C3)SC)C4=CC=CC=C4

InChI

InChI=1S/C24H25N3O3S/c1-30-22(29)24(18-9-5-3-6-10-18)13-15-26(16-14-24)21(28)20-17-25-23(31-2)27(20)19-11-7-4-8-12-19/h3-12,17H,13-16H2,1-2H3