4-ethyl-5-[4-(6-fluoranyl-1,2-benzothiazol-3-yl)piperidin-1-yl]isoindole-1,3-dione

Systemtic Name: 4-ethyl-5-[4-(6-fluoranyl-1,2-benzothiazol-3-yl)piperidin-1-yl]isoindole-1,3-dione Openeye Name: 4-ethyl-5-[4-(6-fluoro-1,2-benzothiazol-3-yl)-1-piperidyl]isoindoline-1,3-dione CAS Name: 4-ethyl-5-[4-(6-fluoro-1,2-benzothiazol-3-yl)-1-piperidinyl]isoindole-1,3-dione IUPAC Name: 4-ethyl-5-[4-(6-fluoro-1,2-benzothiazol-3-yl)piperidin-1-yl]isoindole-1,3-dione Traditional Name: 4-ethyl-5-[4-(6-fluoro-1,2-benzothiazol-3-yl)piperidino]isoindoline-1,3-quinone Formula: C22H20FN3O2S MolecularWeight: 409.476503

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC2=C1C(=O)NC2=O)N3CCC(CC3)C4=NSC5=C4C=CC(=C5)F

Isomeric SMILES

CCC1=C(C=CC2=C1C(=O)NC2=O)N3CCC(CC3)C4=NSC5=C4C=CC(=C5)F

InChI

InChI=1S/C22H20FN3O2S/c1-2-14-17(6-5-16-19(14)22(28)24-21(16)27)26-9-7-12(8-10-26)20-15-4-3-13(23)11-18(15)29-25-20/h3-6,11-12H,2,7-10H2,1H3,(H,24,27,28)