N3-[(4-methylphenyl)methyl]-N5-(3-methylsulfanylpropyl)-4-oxidanylidene-1-(2-pyridin-2-ylethyl)pyridine-3,5-dicarboxamide

Systemtic Name: N3-[(4-methylphenyl)methyl]-N5-(3-methylsulfanylpropyl)-4-oxidanylidene-1-(2-pyridin-2-ylethyl)pyridine-3,5-dicarboxamide Openeye Name: N5-(3-methylsulfanylpropyl)-4-oxo-N3-(p-tolylmethyl)-1-[2-(2-pyridyl)ethyl]pyridine-3,5-dicarboxamide CAS Name: N3-[(4-methylphenyl)methyl]-N5-[3-(methylthio)propyl]-4-oxo-1-[2-(2-pyridinyl)ethyl]pyridine-3,5-dicarboxamide IUPAC Name: 3-N-[(4-methylphenyl)methyl]-5-N-(3-methylsulfanylpropyl)-4-oxo-1-(2-pyridin-2-ylethyl)pyridine-3,5-dicarboxamide Traditional Name: 4-keto-N-(4-methylbenzyl)-N'-[3-(methylthio)propyl]-1-[2-(2-pyridyl)ethyl]dinicotinamide Formula: C26H30N4O3S MolecularWeight: 478.6064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)C2=CN(C=C(C2=O)C(=O)NCCCSC)CCC3=CC=CC=N3

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)C2=CN(C=C(C2=O)C(=O)NCCCSC)CCC3=CC=CC=N3

InChI

InChI=1S/C26H30N4O3S/c1-19-7-9-20(10-8-19)16-29-26(33)23-18-30(14-11-21-6-3-4-12-27-21)17-22(24(23)31)25(32)28-13-5-15-34-2/h3-4,6-10,12,17-18H,5,11,13-16H2,1-2H3,(H,28,32)(H,29,33)