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

Systemtic Name: 2-[4-[2-(1,3-benzoxazol-2-ylsulfanyl)ethyl]piperazin-1-yl]-N-(2,4-dimethoxy-6-methyl-pyridin-3-yl)ethanamide Openeye Name: 2-[4-[2-(1,3-benzoxazol-2-ylsulfanyl)ethyl]piperazin-1-yl]-N-(2,4-dimethoxy-6-methyl-3-pyridyl)acetamide CAS Name: 2-[4-[2-(1,3-benzoxazol-2-ylthio)ethyl]-1-piperazinyl]-N-(2,4-dimethoxy-6-methyl-3-pyridinyl)acetamide IUPAC Name: 2-[4-[2-(1,3-benzoxazol-2-ylsulfanyl)ethyl]piperazin-1-yl]-N-(2,4-dimethoxy-6-methylpyridin-3-yl)acetamide Traditional Name: 2-[4-[2-(1,3-benzoxazol-2-ylthio)ethyl]piperazino]-N-(2,4-dimethoxy-6-methyl-3-pyridyl)acetamide Formula: C23H29N5O4S MolecularWeight: 471.57246

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N5O4S/c1-16-14-19(30-2)21(22(24-16)31-3)26-20(29)15-28-10-8-27(9-11-28)12-13-33-23-25-17-6-4-5-7-18(17)32-23/h4-7,14H,8-13,15H2,1-3H3,(H,26,29)