2-bromanyl-3-methyl-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide

Systemtic Name: 2-bromanyl-3-methyl-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide Openeye Name: 2-bromo-3-methyl-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide CAS Name: 2-bromo-3-methyl-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide IUPAC Name: 2-bromo-3-methyl-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide Traditional Name: 2-bromo-3-methyl-N-(6-nitro-1,3-benzothiazol-2-yl)butyramide Formula: C12H12BrN3O3S MolecularWeight: 358.21098

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC1=NC2=C(S1)C=C(C=C2)[N+](=O)[O-])Br

Isomeric SMILES

CC(C)C(C(=O)NC1=NC2=C(S1)C=C(C=C2)[N+](=O)[O-])Br

InChI

InChI=1S/C12H12BrN3O3S/c1-6(2)10(13)11(17)15-12-14-8-4-3-7(16(18)19)5-9(8)20-12/h3-6,10H,1-2H3,(H,14,15,17)