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

Systemtic Name: N-[4-(5-bromanyl-3-methyl-pyridin-2-yl)butyl]-5-methoxy-1,1-bis(oxidanylidene)-1,2-benzothiazol-3-amine Openeye Name: N-[4-(5-bromo-3-methyl-2-pyridyl)butyl]-5-methoxy-1,1-dioxo-1,2-benzothiazol-3-amine CAS Name: N-[4-(5-bromo-3-methyl-2-pyridinyl)butyl]-5-methoxy-1,1-dioxo-1,2-benzothiazol-3-amine IUPAC Name: N-[4-(5-bromo-3-methylpyridin-2-yl)butyl]-5-methoxy-1,1-dioxo-1,2-benzothiazol-3-amine Traditional Name: 4-(5-bromo-3-methyl-2-pyridyl)butyl-(1,1-diketo-5-methoxy-1,2-benzothiazol-3-yl)amine Formula: C18H20BrN3O3S MolecularWeight: 438.3387

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CN=C1CCCCNC2=NS(=O)(=O)C3=C2C=C(C=C3)OC)Br

Isomeric SMILES

CC1=CC(=CN=C1CCCCNC2=NS(=O)(=O)C3=C2C=C(C=C3)OC)Br

InChI

InChI=1S/C18H20BrN3O3S/c1-12-9-13(19)11-21-16(12)5-3-4-8-20-18-15-10-14(25-2)6-7-17(15)26(23,24)22-18/h6-7,9-11H,3-5,8H2,1-2H3,(H,20,22)