2-[4-[2-(1,3-benzoxazol-2-ylsulfanyl)ethyl]piperazin-1-yl]-N-(2-methylsulfanylpyridin-3-yl)ethanamide

Systemtic Name: 2-[4-[2-(1,3-benzoxazol-2-ylsulfanyl)ethyl]piperazin-1-yl]-N-(2-methylsulfanylpyridin-3-yl)ethanamide Openeye Name: 2-[4-[2-(1,3-benzoxazol-2-ylsulfanyl)ethyl]piperazin-1-yl]-N-(2-methylsulfanyl-3-pyridyl)acetamide CAS Name: 2-[4-[2-(1,3-benzoxazol-2-ylthio)ethyl]-1-piperazinyl]-N-[2-(methylthio)-3-pyridinyl]acetamide IUPAC Name: 2-[4-[2-(1,3-benzoxazol-2-ylsulfanyl)ethyl]piperazin-1-yl]-N-(2-methylsulfanylpyridin-3-yl)acetamide Traditional Name: 2-[4-[2-(1,3-benzoxazol-2-ylthio)ethyl]piperazino]-N-[2-(methylthio)-3-pyridyl]acetamide Formula: C21H25N5O2S2 MolecularWeight: 443.5855

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=CC=N1)NC(=O)CN2CCN(CC2)CCSC3=NC4=CC=CC=C4O3

Isomeric SMILES

CSC1=C(C=CC=N1)NC(=O)CN2CCN(CC2)CCSC3=NC4=CC=CC=C4O3

InChI

InChI=1S/C21H25N5O2S2/c1-29-20-17(6-4-8-22-20)23-19(27)15-26-11-9-25(10-12-26)13-14-30-21-24-16-5-2-3-7-18(16)28-21/h2-8H,9-15H2,1H3,(H,23,27)