2-(4-bromanyl-2-tert-butyl-phenoxy)-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)ethanamide

Systemtic Name: 2-(4-bromanyl-2-tert-butyl-phenoxy)-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)ethanamide Openeye Name: 2-(4-bromo-2-tert-butyl-phenoxy)-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)acetamide CAS Name: 2-(4-bromo-2-tert-butylphenoxy)-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)acetamide IUPAC Name: 2-(4-bromo-2-tert-butylphenoxy)-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)acetamide Traditional Name: 2-(4-bromo-2-tert-butyl-phenoxy)-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)acetamide Formula: C21H23BrN2O2S MolecularWeight: 447.38852

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)SC(=N2)NC(=O)COC3=C(C=C(C=C3)Br)C(C)(C)C)C

Isomeric SMILES

CC1=C(C2=C(C=C1)SC(=N2)NC(=O)COC3=C(C=C(C=C3)Br)C(C)(C)C)C

InChI

InChI=1S/C21H23BrN2O2S/c1-12-6-9-17-19(13(12)2)24-20(27-17)23-18(25)11-26-16-8-7-14(22)10-15(16)21(3,4)5/h6-10H,11H2,1-5H3,(H,23,24,25)