N-(1,3-benzodioxol-5-ylmethyl)-2-[4-ethanoyl-2-(pyrimidin-2-ylsulfanylmethyl)phenoxy]ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[4-ethanoyl-2-(pyrimidin-2-ylsulfanylmethyl)phenoxy]ethanamide Openeye Name: 2-[4-acetyl-2-(pyrimidin-2-ylsulfanylmethyl)phenoxy]-N-(1,3-benzodioxol-5-ylmethyl)acetamide CAS Name: 2-[4-acetyl-2-[(2-pyrimidinylthio)methyl]phenoxy]-N-(1,3-benzodioxol-5-ylmethyl)acetamide IUPAC Name: 2-[4-acetyl-2-(pyrimidin-2-ylsulfanylmethyl)phenoxy]-N-(1,3-benzodioxol-5-ylmethyl)acetamide Traditional Name: 2-[4-acetyl-2-[(2-pyrimidylthio)methyl]phenoxy]-N-piperonyl-acetamide Formula: C23H21N3O5S MolecularWeight: 451.49494

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)OCC(=O)NCC2=CC3=C(C=C2)OCO3)CSC4=NC=CC=N4

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)OCC(=O)NCC2=CC3=C(C=C2)OCO3)CSC4=NC=CC=N4

InChI

InChI=1S/C23H21N3O5S/c1-15(27)17-4-6-19(18(10-17)13-32-23-24-7-2-8-25-23)29-12-22(28)26-11-16-3-5-20-21(9-16)31-14-30-20/h2-10H,11-14H2,1H3,(H,26,28)