1-[4-(5-bromanylpyridin-2-yl)piperazin-1-yl]-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)ethanone

Systemtic Name: 1-[4-(5-bromanylpyridin-2-yl)piperazin-1-yl]-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)ethanone Openeye Name: 1-[4-(5-bromo-2-pyridyl)piperazin-1-yl]-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)ethanone CAS Name: 1-[4-(5-bromo-2-pyridinyl)-1-piperazinyl]-2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)ethanone IUPAC Name: 1-[4-(5-bromopyridin-2-yl)piperazin-1-yl]-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)ethanone Traditional Name: 1-[4-(5-bromo-2-pyridyl)piperazino]-2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)ethanone Formula: C19H20BrN3O3S MolecularWeight: 450.3494

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=C(C=C2)Br)C(=O)CSC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C1CN(CCN1C2=NC=C(C=C2)Br)C(=O)CSC3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C19H20BrN3O3S/c20-14-1-4-18(21-12-14)22-5-7-23(8-6-22)19(24)13-27-15-2-3-16-17(11-15)26-10-9-25-16/h1-4,11-12H,5-10,13H2