2-[2-(5-bromanylpyridin-3-yl)ethanoylamino]-N-[5-(6-methyl-6-oxidanyl-heptan-2-yl)-1,3-thiazol-2-yl]propanamide

Systemtic Name: 2-[2-(5-bromanylpyridin-3-yl)ethanoylamino]-N-[5-(6-methyl-6-oxidanyl-heptan-2-yl)-1,3-thiazol-2-yl]propanamide Openeye Name: 2-[[2-(5-bromo-3-pyridyl)acetyl]amino]-N-[5-(5-hydroxy-1,5-dimethyl-hexyl)thiazol-2-yl]propanamide CAS Name: 2-[[2-(5-bromo-3-pyridinyl)-1-oxoethyl]amino]-N-[5-(6-hydroxy-6-methylheptan-2-yl)-2-thiazolyl]propanamide IUPAC Name: 2-[[2-(5-bromopyridin-3-yl)acetyl]amino]-N-[5-(6-hydroxy-6-methylheptan-2-yl)-1,3-thiazol-2-yl]propanamide Traditional Name: 2-[[2-(5-bromo-3-pyridyl)acetyl]amino]-N-[5-(5-hydroxy-1,5-dimethyl-hexyl)thiazol-2-yl]propionamide Formula: C21H29BrN4O3S MolecularWeight: 497.44896

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CCCC(C)(C)O)C1=CN=C(S1)NC(=O)C(C)NC(=O)CC2=CC(=CN=C2)Br

Isomeric SMILES

CC(CCCC(C)(C)O)C1=CN=C(S1)NC(=O)C(C)NC(=O)CC2=CC(=CN=C2)Br

InChI

InChI=1S/C21H29BrN4O3S/c1-13(6-5-7-21(3,4)29)17-12-24-20(30-17)26-19(28)14(2)25-18(27)9-15-8-16(22)11-23-10-15/h8,10-14,29H,5-7,9H2,1-4H3,(H,25,27)(H,24,26,28)