N-[4-(5-bromanyl-3-methyl-pyridin-2-yl)butyl]-1,1-bis(oxidanylidene)-6-pyridin-2-yl-1,2-benzothiazol-3-amine

Systemtic Name: N-[4-(5-bromanyl-3-methyl-pyridin-2-yl)butyl]-1,1-bis(oxidanylidene)-6-pyridin-2-yl-1,2-benzothiazol-3-amine Openeye Name: N-[4-(5-bromo-3-methyl-2-pyridyl)butyl]-1,1-dioxo-6-(2-pyridyl)-1,2-benzothiazol-3-amine CAS Name: N-[4-(5-bromo-3-methyl-2-pyridinyl)butyl]-1,1-dioxo-6-(2-pyridinyl)-1,2-benzothiazol-3-amine IUPAC Name: N-[4-(5-bromo-3-methylpyridin-2-yl)butyl]-1,1-dioxo-6-pyridin-2-yl-1,2-benzothiazol-3-amine Traditional Name: 4-(5-bromo-3-methyl-2-pyridyl)butyl-[1,1-diketo-6-(2-pyridyl)-1,2-benzothiazol-3-yl]amine Formula: C22H21BrN4O2S MolecularWeight: 485.39674

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CN=C1CCCCNC2=NS(=O)(=O)C3=C2C=CC(=C3)C4=CC=CC=N4)Br

Isomeric SMILES

CC1=CC(=CN=C1CCCCNC2=NS(=O)(=O)C3=C2C=CC(=C3)C4=CC=CC=N4)Br

InChI

InChI=1S/C22H21BrN4O2S/c1-15-12-17(23)14-26-19(15)6-2-5-11-25-22-18-9-8-16(20-7-3-4-10-24-20)13-21(18)30(28,29)27-22/h3-4,7-10,12-14H,2,5-6,11H2,1H3,(H,25,27)