2-[[2-(1,3-benzodioxol-5-ylmethyl)-3-oxidanylidene-1H-isoindol-1-yl]sulfanyl]-N-pyridin-2-yl-ethanamide

Systemtic Name: 2-[[2-(1,3-benzodioxol-5-ylmethyl)-3-oxidanylidene-1H-isoindol-1-yl]sulfanyl]-N-pyridin-2-yl-ethanamide Openeye Name: 2-[2-(1,3-benzodioxol-5-ylmethyl)-3-oxo-isoindolin-1-yl]sulfanyl-N-(2-pyridyl)acetamide CAS Name: 2-[[2-(1,3-benzodioxol-5-ylmethyl)-3-oxo-1H-isoindol-1-yl]thio]-N-(2-pyridinyl)acetamide IUPAC Name: 2-[[2-(1,3-benzodioxol-5-ylmethyl)-3-oxo-1H-isoindol-1-yl]sulfanyl]-N-pyridin-2-ylacetamide Traditional Name: 2-[(3-keto-2-piperonyl-isoindolin-1-yl)thio]-N-(2-pyridyl)acetamide Formula: C23H19N3O4S MolecularWeight: 433.47966

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CN3C(C4=CC=CC=C4C3=O)SCC(=O)NC5=CC=CC=N5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CN3C(C4=CC=CC=C4C3=O)SCC(=O)NC5=CC=CC=N5

InChI

InChI=1S/C23H19N3O4S/c27-21(25-20-7-3-4-10-24-20)13-31-23-17-6-2-1-5-16(17)22(28)26(23)12-15-8-9-18-19(11-15)30-14-29-18/h1-11,23H,12-14H2,(H,24,25,27)