N-[4-(5-bromanyl-3-methyl-pyridin-2-yl)butyl]-1,1-bis(oxidanylidene)-1,2-benzothiazol-3-amine

Systemtic Name: N-[4-(5-bromanyl-3-methyl-pyridin-2-yl)butyl]-1,1-bis(oxidanylidene)-1,2-benzothiazol-3-amine Openeye Name: N-[4-(5-bromo-3-methyl-2-pyridyl)butyl]-1,1-dioxo-1,2-benzothiazol-3-amine CAS Name: N-[4-(5-bromo-3-methyl-2-pyridinyl)butyl]-1,1-dioxo-1,2-benzothiazol-3-amine IUPAC Name: N-[4-(5-bromo-3-methylpyridin-2-yl)butyl]-1,1-dioxo-1,2-benzothiazol-3-amine Traditional Name: 4-(5-bromo-3-methyl-2-pyridyl)butyl-(1,1-diketo-1,2-benzothiazol-3-yl)amine Formula: C17H18BrN3O2S MolecularWeight: 408.31272

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CN=C1CCCCNC2=NS(=O)(=O)C3=CC=CC=C32)Br

Isomeric SMILES

CC1=CC(=CN=C1CCCCNC2=NS(=O)(=O)C3=CC=CC=C32)Br

InChI

InChI=1S/C17H18BrN3O2S/c1-12-10-13(18)11-20-15(12)7-4-5-9-19-17-14-6-2-3-8-16(14)24(22,23)21-17/h2-3,6,8,10-11H,4-5,7,9H2,1H3,(H,19,21)