2-azanyl-N-[2-(4-oxidanylidene-1-piperidin-4-yl-2-pyridin-3-ylcarbonyl-butyl)sulfanylethyl]ethanamide

Systemtic Name: 2-azanyl-N-[2-(4-oxidanylidene-1-piperidin-4-yl-2-pyridin-3-ylcarbonyl-butyl)sulfanylethyl]ethanamide Openeye Name: 2-amino-N-[2-[4-oxo-1-(4-piperidyl)-2-(pyridine-3-carbonyl)butyl]sulfanylethyl]acetamide CAS Name: 2-amino-N-[2-[[4-oxo-2-[oxo(3-pyridinyl)methyl]-1-(4-piperidinyl)butyl]thio]ethyl]acetamide IUPAC Name: 2-amino-N-[2-[4-oxo-1-piperidin-4-yl-2-(pyridine-3-carbonyl)butyl]sulfanylethyl]acetamide Traditional Name: 2-amino-N-[2-[[4-keto-2-nicotinoyl-1-(4-piperidyl)butyl]thio]ethyl]acetamide Formula: C19H28N4O3S MolecularWeight: 392.51562

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1C(C(CC=O)C(=O)C2=CN=CC=C2)SCCNC(=O)CN

Isomeric SMILES

C1CNCCC1C(C(CC=O)C(=O)C2=CN=CC=C2)SCCNC(=O)CN

InChI

InChI=1S/C19H28N4O3S/c20-12-17(25)23-9-11-27-19(14-3-7-21-8-4-14)16(5-10-24)18(26)15-2-1-6-22-13-15/h1-2,6,10,13-14,16,19,21H,3-5,7-9,11-12,20H2,(H,23,25)