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

Systemtic Name: N-(4-imidazol-1-ylphenyl)-6-methyl-2-[1-[2-(4-methylsulfanylphenyl)ethanoyl]piperidin-4-yl]pyridine-3-carboxamide Openeye Name: N-(4-imidazol-1-ylphenyl)-6-methyl-2-[1-[2-(4-methylsulfanylphenyl)acetyl]-4-piperidyl]pyridine-3-carboxamide CAS Name: N-[4-(1-imidazolyl)phenyl]-6-methyl-2-[1-[2-[4-(methylthio)phenyl]-1-oxoethyl]-4-piperidinyl]-3-pyridinecarboxamide IUPAC Name: N-(4-imidazol-1-ylphenyl)-6-methyl-2-[1-[2-(4-methylsulfanylphenyl)acetyl]piperidin-4-yl]pyridine-3-carboxamide Traditional Name: N-(4-imidazol-1-ylphenyl)-6-methyl-2-[1-[2-[4-(methylthio)phenyl]acetyl]-4-piperidyl]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)CC5=CC=C(C=C5)SC

Isomeric SMILES

CC1=NC(=C(C=C1)C(=O)NC2=CC=C(C=C2)N3C=CN=C3)C4CCN(CC4)C(=O)CC5=CC=C(C=C5)SC

InChI

InChI=1S/C30H31N5O2S/c1-21-3-12-27(30(37)33-24-6-8-25(9-7-24)35-18-15-31-20-35)29(32-21)23-13-16-34(17-14-23)28(36)19-22-4-10-26(38-2)11-5-22/h3-12,15,18,20,23H,13-14,16-17,19H2,1-2H3,(H,33,37)