N-(4-imidazol-1-ylphenyl)-6-methyl-2-[1-(4-methylsulfanyl-2-oxidanyl-butanoyl)piperidin-4-yl]pyridine-3-carboxamide

Systemtic Name: N-(4-imidazol-1-ylphenyl)-6-methyl-2-[1-(4-methylsulfanyl-2-oxidanyl-butanoyl)piperidin-4-yl]pyridine-3-carboxamide Openeye Name: 2-[1-(2-hydroxy-4-methylsulfanyl-butanoyl)-4-piperidyl]-N-(4-imidazol-1-ylphenyl)-6-methyl-pyridine-3-carboxamide CAS Name: 2-[1-[2-hydroxy-4-(methylthio)-1-oxobutyl]-4-piperidinyl]-N-[4-(1-imidazolyl)phenyl]-6-methyl-3-pyridinecarboxamide IUPAC Name: 2-[1-(2-hydroxy-4-methylsulfanylbutanoyl)piperidin-4-yl]-N-(4-imidazol-1-ylphenyl)-6-methylpyridine-3-carboxamide Traditional Name: 2-[1-[2-hydroxy-4-(methylthio)butanoyl]-4-piperidyl]-N-(4-imidazol-1-ylphenyl)-6-methyl-nicotinamide Formula: C26H31N5O3S MolecularWeight: 493.62104

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C=C1)C(=O)NC2=CC=C(C=C2)N3C=CN=C3)C4CCN(CC4)C(=O)C(CCSC)O

Isomeric SMILES

CC1=NC(=C(C=C1)C(=O)NC2=CC=C(C=C2)N3C=CN=C3)C4CCN(CC4)C(=O)C(CCSC)O

InChI

InChI=1S/C26H31N5O3S/c1-18-3-8-22(25(33)29-20-4-6-21(7-5-20)31-15-12-27-17-31)24(28-18)19-9-13-30(14-10-19)26(34)23(32)11-16-35-2/h3-8,12,15,17,19,23,32H,9-11,13-14,16H2,1-2H3,(H,29,33)