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

Systemtic Name: N-(3-imidazol-1-ylpropyl)-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-(3-imidazol-1-ylpropyl)-6-methyl-pyridine-3-carboxamide CAS Name: 2-[1-[2-hydroxy-4-(methylthio)-1-oxobutyl]-4-piperidinyl]-N-[3-(1-imidazolyl)propyl]-6-methyl-3-pyridinecarboxamide IUPAC Name: 2-[1-(2-hydroxy-4-methylsulfanylbutanoyl)piperidin-4-yl]-N-(3-imidazol-1-ylpropyl)-6-methylpyridine-3-carboxamide Traditional Name: 2-[1-[2-hydroxy-4-(methylthio)butanoyl]-4-piperidyl]-N-(3-imidazol-1-ylpropyl)-6-methyl-nicotinamide Formula: C23H33N5O3S MolecularWeight: 459.60482

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C=C1)C(=O)NCCCN2C=CN=C2)C3CCN(CC3)C(=O)C(CCSC)O

Isomeric SMILES

CC1=NC(=C(C=C1)C(=O)NCCCN2C=CN=C2)C3CCN(CC3)C(=O)C(CCSC)O

InChI

InChI=1S/C23H33N5O3S/c1-17-4-5-19(22(30)25-9-3-11-27-14-10-24-16-27)21(26-17)18-6-12-28(13-7-18)23(31)20(29)8-15-32-2/h4-5,10,14,16,18,20,29H,3,6-9,11-13,15H2,1-2H3,(H,25,30)