N-(4-methyl-6-nitro-1,3-benzothiazol-2-yl)butanamide

Systemtic Name: N-(4-methyl-6-nitro-1,3-benzothiazol-2-yl)butanamide Openeye Name: N-(4-methyl-6-nitro-1,3-benzothiazol-2-yl)butanamide CAS Name: N-(4-methyl-6-nitro-1,3-benzothiazol-2-yl)butanamide IUPAC Name: N-(4-methyl-6-nitro-1,3-benzothiazol-2-yl)butanamide Traditional Name: N-(4-methyl-6-nitro-1,3-benzothiazol-2-yl)butyramide Formula: C12H13N3O3S MolecularWeight: 279.31492

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=NC2=C(S1)C=C(C=C2C)[N+](=O)[O-]

Isomeric SMILES

CCCC(=O)NC1=NC2=C(S1)C=C(C=C2C)[N+](=O)[O-]

InChI

InChI=1S/C12H13N3O3S/c1-3-4-10(16)13-12-14-11-7(2)5-8(15(17)18)6-9(11)19-12/h5-6H,3-4H2,1-2H3,(H,13,14,16)