2-[4-[2-(1,3-benzoxazol-2-ylsulfanyl)ethyl]piperazin-1-yl]-N-(6-methyl-2-methylsulfanyl-pyridin-3-yl)ethanamide

Systemtic Name: 2-[4-[2-(1,3-benzoxazol-2-ylsulfanyl)ethyl]piperazin-1-yl]-N-(6-methyl-2-methylsulfanyl-pyridin-3-yl)ethanamide Openeye Name: 2-[4-[2-(1,3-benzoxazol-2-ylsulfanyl)ethyl]piperazin-1-yl]-N-(6-methyl-2-methylsulfanyl-3-pyridyl)acetamide CAS Name: 2-[4-[2-(1,3-benzoxazol-2-ylthio)ethyl]-1-piperazinyl]-N-[6-methyl-2-(methylthio)-3-pyridinyl]acetamide IUPAC Name: 2-[4-[2-(1,3-benzoxazol-2-ylsulfanyl)ethyl]piperazin-1-yl]-N-(6-methyl-2-methylsulfanylpyridin-3-yl)acetamide Traditional Name: 2-[4-[2-(1,3-benzoxazol-2-ylthio)ethyl]piperazino]-N-[6-methyl-2-(methylthio)-3-pyridyl]acetamide Formula: C22H27N5O2S2 MolecularWeight: 457.61208

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C=C1)NC(=O)CN2CCN(CC2)CCSC3=NC4=CC=CC=C4O3)SC

Isomeric SMILES

CC1=NC(=C(C=C1)NC(=O)CN2CCN(CC2)CCSC3=NC4=CC=CC=C4O3)SC

InChI

InChI=1S/C22H27N5O2S2/c1-16-7-8-18(21(23-16)30-2)24-20(28)15-27-11-9-26(10-12-27)13-14-31-22-25-17-5-3-4-6-19(17)29-22/h3-8H,9-15H2,1-2H3,(H,24,28)