4-[4-(2-methylbutan-2-yl)phenoxy]-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide

Systemtic Name: 4-[4-(2-methylbutan-2-yl)phenoxy]-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide Openeye Name: 4-[4-(1,1-dimethylpropyl)phenoxy]-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide CAS Name: 4-[4-(2-methylbutan-2-yl)phenoxy]-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide IUPAC Name: 4-[4-(2-methylbutan-2-yl)phenoxy]-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide Traditional Name: 4-(4-tert-amylphenoxy)-N-(6-nitro-1,3-benzothiazol-2-yl)butyramide Formula: C22H25N3O4S MolecularWeight: 427.5166

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1=CC=C(C=C1)OCCCC(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCC(C)(C)C1=CC=C(C=C1)OCCCC(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H25N3O4S/c1-4-22(2,3)15-7-10-17(11-8-15)29-13-5-6-20(26)24-21-23-18-12-9-16(25(27)28)14-19(18)30-21/h7-12,14H,4-6,13H2,1-3H3,(H,23,24,26)