2-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-[2-(cyanomethylsulfanyl)phenyl]ethanamide

Systemtic Name: 2-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-[2-(cyanomethylsulfanyl)phenyl]ethanamide Openeye Name: 2-[3-(1,3-benzoxazol-2-yl)-1-piperidyl]-N-[2-(cyanomethylsulfanyl)phenyl]acetamide CAS Name: 2-[3-(1,3-benzoxazol-2-yl)-1-piperidinyl]-N-[2-(cyanomethylthio)phenyl]acetamide IUPAC Name: 2-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-[2-(cyanomethylsulfanyl)phenyl]acetamide Traditional Name: 2-[3-(1,3-benzoxazol-2-yl)piperidino]-N-[2-(cyanomethylthio)phenyl]acetamide Formula: C22H22N4O2S MolecularWeight: 406.50068

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)CC(=O)NC2=CC=CC=C2SCC#N)C3=NC4=CC=CC=C4O3

Isomeric SMILES

C1CC(CN(C1)CC(=O)NC2=CC=CC=C2SCC#N)C3=NC4=CC=CC=C4O3

InChI

InChI=1S/C22H22N4O2S/c23-11-13-29-20-10-4-2-8-18(20)24-21(27)15-26-12-5-6-16(14-26)22-25-17-7-1-3-9-19(17)28-22/h1-4,7-10,16H,5-6,12-15H2,(H,24,27)