2-[3-[4-(5-bromanylpyridin-2-yl)piperazin-1-yl]-3-oxidanylidene-propyl]sulfanylethanamide

Systemtic Name: 2-[3-[4-(5-bromanylpyridin-2-yl)piperazin-1-yl]-3-oxidanylidene-propyl]sulfanylethanamide Openeye Name: 2-[3-[4-(5-bromo-2-pyridyl)piperazin-1-yl]-3-oxo-propyl]sulfanylacetamide CAS Name: 2-[[3-[4-(5-bromo-2-pyridinyl)-1-piperazinyl]-3-oxopropyl]thio]acetamide IUPAC Name: 2-[3-[4-(5-bromopyridin-2-yl)piperazin-1-yl]-3-oxopropyl]sulfanylacetamide Traditional Name: 2-[[3-[4-(5-bromo-2-pyridyl)piperazino]-3-keto-propyl]thio]acetamide Formula: C14H19BrN4O2S MolecularWeight: 387.29526

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=C(C=C2)Br)C(=O)CCSCC(=O)N

Isomeric SMILES

C1CN(CCN1C2=NC=C(C=C2)Br)C(=O)CCSCC(=O)N

InChI

InChI=1S/C14H19BrN4O2S/c15-11-1-2-13(17-9-11)18-4-6-19(7-5-18)14(21)3-8-22-10-12(16)20/h1-2,9H,3-8,10H2,(H2,16,20)