4-[4-(5-bromanyl-3-methyl-pyridin-2-yl)butyl]-1,1-bis(oxidanylidene)-1,2-benzothiazole-3,6-diamine

Systemtic Name: 4-[4-(5-bromanyl-3-methyl-pyridin-2-yl)butyl]-1,1-bis(oxidanylidene)-1,2-benzothiazole-3,6-diamine Openeye Name: 4-[4-(5-bromo-3-methyl-2-pyridyl)butyl]-1,1-dioxo-1,2-benzothiazole-3,6-diamine CAS Name: 4-[4-(5-bromo-3-methyl-2-pyridinyl)butyl]-1,1-dioxo-1,2-benzothiazole-3,6-diamine IUPAC Name: 4-[4-(5-bromo-3-methylpyridin-2-yl)butyl]-1,1-dioxo-1,2-benzothiazole-3,6-diamine Traditional Name: [3-amino-4-[4-(5-bromo-3-methyl-2-pyridyl)butyl]-1,1-diketo-1,2-benzothiazol-6-yl]amine Formula: C17H19BrN4O2S MolecularWeight: 423.32736

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CN=C1CCCCC2=CC(=CC3=C2C(=NS3(=O)=O)N)N)Br

Isomeric SMILES

CC1=CC(=CN=C1CCCCC2=CC(=CC3=C2C(=NS3(=O)=O)N)N)Br

InChI

InChI=1S/C17H19BrN4O2S/c1-10-6-12(18)9-21-14(10)5-3-2-4-11-7-13(19)8-15-16(11)17(20)22-25(15,23)24/h6-9H,2-5,19H2,1H3,(H2,20,22)