2-(4-bromanyl-2-tert-butyl-phenoxy)-N-(6-nitro-1,3-benzothiazol-2-yl)ethanamide

Systemtic Name: 2-(4-bromanyl-2-tert-butyl-phenoxy)-N-(6-nitro-1,3-benzothiazol-2-yl)ethanamide Openeye Name: 2-(4-bromo-2-tert-butyl-phenoxy)-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide CAS Name: 2-(4-bromo-2-tert-butylphenoxy)-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide IUPAC Name: 2-(4-bromo-2-tert-butylphenoxy)-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide Traditional Name: 2-(4-bromo-2-tert-butyl-phenoxy)-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide Formula: C19H18BrN3O4S MolecularWeight: 464.33292

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18BrN3O4S/c1-19(2,3)13-8-11(20)4-7-15(13)27-10-17(24)22-18-21-14-6-5-12(23(25)26)9-16(14)28-18/h4-9H,10H2,1-3H3,(H,21,22,24)