N-cyclooctyl-4-oxidanylidene-1-(pyridin-2-ylmethyl)-5-thiomorpholin-4-ylcarbonyl-pyridine-3-carboxamide

Systemtic Name: N-cyclooctyl-4-oxidanylidene-1-(pyridin-2-ylmethyl)-5-thiomorpholin-4-ylcarbonyl-pyridine-3-carboxamide Openeye Name: N-cyclooctyl-4-oxo-1-(2-pyridylmethyl)-5-(thiomorpholine-4-carbonyl)pyridine-3-carboxamide CAS Name: N-cyclooctyl-4-oxo-5-[oxo(thiomorpholin-4-yl)methyl]-1-(2-pyridinylmethyl)-3-pyridinecarboxamide IUPAC Name: N-cyclooctyl-4-oxo-1-(pyridin-2-ylmethyl)-5-(thiomorpholine-4-carbonyl)pyridine-3-carboxamide Traditional Name: N-cyclooctyl-4-keto-1-(2-pyridylmethyl)-5-(thiomorpholine-4-carbonyl)nicotinamide Formula: C25H32N4O3S MolecularWeight: 468.61158

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CCC1)NC(=O)C2=CN(C=C(C2=O)C(=O)N3CCSCC3)CC4=CC=CC=N4

Isomeric SMILES

C1CCCC(CCC1)NC(=O)C2=CN(C=C(C2=O)C(=O)N3CCSCC3)CC4=CC=CC=N4

InChI

InChI=1S/C25H32N4O3S/c30-23-21(24(31)27-19-8-4-2-1-3-5-9-19)17-28(16-20-10-6-7-11-26-20)18-22(23)25(32)29-12-14-33-15-13-29/h6-7,10-11,17-19H,1-5,8-9,12-16H2,(H,27,31)