N3-cyclooctyl-N5-(3-methylsulfanylpropyl)-4-oxidanylidene-1-(pyridin-2-ylmethyl)pyridine-3,5-dicarboxamide

Systemtic Name: N3-cyclooctyl-N5-(3-methylsulfanylpropyl)-4-oxidanylidene-1-(pyridin-2-ylmethyl)pyridine-3,5-dicarboxamide Openeye Name: N3-cyclooctyl-N5-(3-methylsulfanylpropyl)-4-oxo-1-(2-pyridylmethyl)pyridine-3,5-dicarboxamide CAS Name: N3-cyclooctyl-N5-[3-(methylthio)propyl]-4-oxo-1-(2-pyridinylmethyl)pyridine-3,5-dicarboxamide IUPAC Name: 3-N-cyclooctyl-5-N-(3-methylsulfanylpropyl)-4-oxo-1-(pyridin-2-ylmethyl)pyridine-3,5-dicarboxamide Traditional Name: N-cyclooctyl-4-keto-N'-[3-(methylthio)propyl]-1-(2-pyridylmethyl)dinicotinamide Formula: C25H34N4O3S MolecularWeight: 470.62746

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Descriptors Computed from Structure

Canonical SMILES:

CSCCCNC(=O)C1=CN(C=C(C1=O)C(=O)NC2CCCCCCC2)CC3=CC=CC=N3

Isomeric SMILES

CSCCCNC(=O)C1=CN(C=C(C1=O)C(=O)NC2CCCCCCC2)CC3=CC=CC=N3

InChI

InChI=1S/C25H34N4O3S/c1-33-15-9-14-27-24(31)21-17-29(16-20-12-7-8-13-26-20)18-22(23(21)30)25(32)28-19-10-5-3-2-4-6-11-19/h7-8,12-13,17-19H,2-6,9-11,14-16H2,1H3,(H,27,31)(H,28,32)