N-(3-imidazol-1-ylpropyl)-6-methyl-2-[1-[2-(phenylmethylsulfanyl)ethanoyl]piperidin-4-yl]pyridine-3-carboxamide

Systemtic Name: N-(3-imidazol-1-ylpropyl)-6-methyl-2-[1-[2-(phenylmethylsulfanyl)ethanoyl]piperidin-4-yl]pyridine-3-carboxamide Openeye Name: 2-[1-(2-benzylsulfanylacetyl)-4-piperidyl]-N-(3-imidazol-1-ylpropyl)-6-methyl-pyridine-3-carboxamide CAS Name: N-[3-(1-imidazolyl)propyl]-6-methyl-2-[1-[1-oxo-2-(phenylmethylthio)ethyl]-4-piperidinyl]-3-pyridinecarboxamide IUPAC Name: 2-[1-(2-benzylsulfanylacetyl)piperidin-4-yl]-N-(3-imidazol-1-ylpropyl)-6-methylpyridine-3-carboxamide Traditional Name: 2-[1-[2-(benzylthio)acetyl]-4-piperidyl]-N-(3-imidazol-1-ylpropyl)-6-methyl-nicotinamide Formula: C27H33N5O2S MolecularWeight: 491.64822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C=C1)C(=O)NCCCN2C=CN=C2)C3CCN(CC3)C(=O)CSCC4=CC=CC=C4

Isomeric SMILES

CC1=NC(=C(C=C1)C(=O)NCCCN2C=CN=C2)C3CCN(CC3)C(=O)CSCC4=CC=CC=C4

InChI

InChI=1S/C27H33N5O2S/c1-21-8-9-24(27(34)29-12-5-14-31-17-13-28-20-31)26(30-21)23-10-15-32(16-11-23)25(33)19-35-18-22-6-3-2-4-7-22/h2-4,6-9,13,17,20,23H,5,10-12,14-16,18-19H2,1H3,(H,29,34)