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

Systemtic Name: N-(4-imidazol-1-ylphenyl)-6-methyl-2-[1-[2-(phenylmethylsulfanyl)ethanoyl]piperidin-4-yl]pyridine-3-carboxamide Openeye Name: 2-[1-(2-benzylsulfanylacetyl)-4-piperidyl]-N-(4-imidazol-1-ylphenyl)-6-methyl-pyridine-3-carboxamide CAS Name: N-[4-(1-imidazolyl)phenyl]-6-methyl-2-[1-[1-oxo-2-(phenylmethylthio)ethyl]-4-piperidinyl]-3-pyridinecarboxamide IUPAC Name: 2-[1-(2-benzylsulfanylacetyl)piperidin-4-yl]-N-(4-imidazol-1-ylphenyl)-6-methylpyridine-3-carboxamide Traditional Name: 2-[1-[2-(benzylthio)acetyl]-4-piperidyl]-N-(4-imidazol-1-ylphenyl)-6-methyl-nicotinamide Formula: C30H31N5O2S MolecularWeight: 525.66444

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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)CSCC5=CC=CC=C5

Isomeric SMILES

CC1=NC(=C(C=C1)C(=O)NC2=CC=C(C=C2)N3C=CN=C3)C4CCN(CC4)C(=O)CSCC5=CC=CC=C5

InChI

InChI=1S/C30H31N5O2S/c1-22-7-12-27(30(37)33-25-8-10-26(11-9-25)35-18-15-31-21-35)29(32-22)24-13-16-34(17-14-24)28(36)20-38-19-23-5-3-2-4-6-23/h2-12,15,18,21,24H,13-14,16-17,19-20H2,1H3,(H,33,37)