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

Systemtic Name: N-(3-imidazol-1-ylpropyl)-6-methyl-2-[1-[2-(4-methylsulfanylphenyl)ethanoyl]piperidin-4-yl]pyridine-3-carboxamide Openeye Name: N-(3-imidazol-1-ylpropyl)-6-methyl-2-[1-[2-(4-methylsulfanylphenyl)acetyl]-4-piperidyl]pyridine-3-carboxamide CAS Name: N-[3-(1-imidazolyl)propyl]-6-methyl-2-[1-[2-[4-(methylthio)phenyl]-1-oxoethyl]-4-piperidinyl]-3-pyridinecarboxamide IUPAC Name: N-(3-imidazol-1-ylpropyl)-6-methyl-2-[1-[2-(4-methylsulfanylphenyl)acetyl]piperidin-4-yl]pyridine-3-carboxamide Traditional Name: N-(3-imidazol-1-ylpropyl)-6-methyl-2-[1-[2-[4-(methylthio)phenyl]acetyl]-4-piperidyl]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)CC4=CC=C(C=C4)SC

Isomeric SMILES

CC1=NC(=C(C=C1)C(=O)NCCCN2C=CN=C2)C3CCN(CC3)C(=O)CC4=CC=C(C=C4)SC

InChI

InChI=1S/C27H33N5O2S/c1-20-4-9-24(27(34)29-12-3-14-31-17-13-28-19-31)26(30-20)22-10-15-32(16-11-22)25(33)18-21-5-7-23(35-2)8-6-21/h4-9,13,17,19,22H,3,10-12,14-16,18H2,1-2H3,(H,29,34)