N-(6-methylpyridin-2-yl)-1-[2-oxidanylidene-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl]piperidine-3-carboxamide

Systemtic Name: N-(6-methylpyridin-2-yl)-1-[2-oxidanylidene-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl]piperidine-3-carboxamide Openeye Name: N-(6-methyl-2-pyridyl)-1-[2-oxo-2-[2-(2-thienyl)ethylcarbamoylamino]ethyl]piperidine-3-carboxamide CAS Name: N-(6-methyl-2-pyridinyl)-1-[2-oxo-2-[[oxo-(2-thiophen-2-ylethylamino)methyl]amino]ethyl]-3-piperidinecarboxamide IUPAC Name: N-(6-methylpyridin-2-yl)-1-[2-oxo-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl]piperidine-3-carboxamide Traditional Name: 1-[2-keto-2-[2-(2-thienyl)ethylcarbamoylamino]ethyl]-N-(6-methyl-2-pyridyl)nipecotamide Formula: C21H27N5O3S MolecularWeight: 429.53578

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC=C1)NC(=O)C2CCCN(C2)CC(=O)NC(=O)NCCC3=CC=CS3

Isomeric SMILES

CC1=NC(=CC=C1)NC(=O)C2CCCN(C2)CC(=O)NC(=O)NCCC3=CC=CS3

InChI

InChI=1S/C21H27N5O3S/c1-15-5-2-8-18(23-15)24-20(28)16-6-3-11-26(13-16)14-19(27)25-21(29)22-10-9-17-7-4-12-30-17/h2,4-5,7-8,12,16H,3,6,9-11,13-14H2,1H3,(H,23,24,28)(H2,22,25,27,29)