2-[2-[4-(5-bromanylpyridin-2-yl)piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide

Systemtic Name: 2-[2-[4-(5-bromanylpyridin-2-yl)piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide Openeye Name: 2-[2-[4-(5-bromo-2-pyridyl)piperazin-1-yl]-2-oxo-ethyl]sulfanyl-N-(5-methylisoxazol-3-yl)propanamide CAS Name: 2-[[2-[4-(5-bromo-2-pyridinyl)-1-piperazinyl]-2-oxoethyl]thio]-N-(5-methyl-3-isoxazolyl)propanamide IUPAC Name: 2-[2-[4-(5-bromopyridin-2-yl)piperazin-1-yl]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide Traditional Name: 2-[[2-[4-(5-bromo-2-pyridyl)piperazino]-2-keto-ethyl]thio]-N-(5-methylisoxazol-3-yl)propionamide Formula: C18H22BrN5O3S MolecularWeight: 468.36798

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)C(C)SCC(=O)N2CCN(CC2)C3=NC=C(C=C3)Br

Isomeric SMILES

CC1=CC(=NO1)NC(=O)C(C)SCC(=O)N2CCN(CC2)C3=NC=C(C=C3)Br

InChI

InChI=1S/C18H22BrN5O3S/c1-12-9-15(22-27-12)21-18(26)13(2)28-11-17(25)24-7-5-23(6-8-24)16-4-3-14(19)10-20-16/h3-4,9-10,13H,5-8,11H2,1-2H3,(H,21,22,26)