N-[(E)-[2,2-dimethyl-3-(2-oxidanylidenepiperidin-1-yl)propylidene]amino]-2-quinolin-2-ylsulfanyl-ethanamide

Systemtic Name: N-[(E)-[2,2-dimethyl-3-(2-oxidanylidenepiperidin-1-yl)propylidene]amino]-2-quinolin-2-ylsulfanyl-ethanamide Openeye Name: N-[(E)-[2,2-dimethyl-3-(2-oxo-1-piperidyl)propylidene]amino]-2-(2-quinolylsulfanyl)acetamide CAS Name: N-[(E)-[2,2-dimethyl-3-(2-oxo-1-piperidinyl)propylidene]amino]-2-(2-quinolinylthio)acetamide IUPAC Name: N-[(E)-[2,2-dimethyl-3-(2-oxopiperidin-1-yl)propylidene]amino]-2-quinolin-2-ylsulfanylacetamide Traditional Name: N-[(E)-[3-(2-ketopiperidino)-2,2-dimethyl-propylidene]amino]-2-(2-quinolylthio)acetamide Formula: C21H26N4O2S MolecularWeight: 398.52174

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CN1CCCCC1=O)C=NNC(=O)CSC2=NC3=CC=CC=C3C=C2

Isomeric SMILES

CC(C)(CN1CCCCC1=O)/C=N/NC(=O)CSC2=NC3=CC=CC=C3C=C2

InChI

InChI=1S/C21H26N4O2S/c1-21(2,15-25-12-6-5-9-20(25)27)14-22-24-18(26)13-28-19-11-10-16-7-3-4-8-17(16)23-19/h3-4,7-8,10-11,14H,5-6,9,12-13,15H2,1-2H3,(H,24,26)/b22-14+