N-[4-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]phenyl]-2-pyridin-2-ylsulfanyl-ethanamide

Systemtic Name: N-[4-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]phenyl]-2-pyridin-2-ylsulfanyl-ethanamide Openeye Name: N-[4-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]phenyl]-2-(2-pyridylsulfanyl)acetamide CAS Name: N-[4-[4-(2,2-dimethyl-1-oxopropyl)-1-piperazinyl]phenyl]-2-(2-pyridinylthio)acetamide IUPAC Name: N-[4-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]phenyl]-2-pyridin-2-ylsulfanylacetamide Traditional Name: N-[4-(4-pivaloylpiperazino)phenyl]-2-(2-pyridylthio)acetamide Formula: C22H28N4O2S MolecularWeight: 412.54832

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)CSC3=CC=CC=N3

Isomeric SMILES

CC(C)(C)C(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)CSC3=CC=CC=N3

InChI

InChI=1S/C22H28N4O2S/c1-22(2,3)21(28)26-14-12-25(13-15-26)18-9-7-17(8-10-18)24-19(27)16-29-20-6-4-5-11-23-20/h4-11H,12-16H2,1-3H3,(H,24,27)