N-(1,3-benzothiazol-2-yl)-4-(2-bromanyl-4-tert-butyl-phenoxy)butanamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C=C1)OCCCC(=O)NC2=NC3=CC=CC=C3S2)Br

Isomeric SMILES

CC(C)(C)C1=CC(=C(C=C1)OCCCC(=O)NC2=NC3=CC=CC=C3S2)Br

InChI

InChI=1S/C21H23BrN2O2S/c1-21(2,3)14-10-11-17(15(22)13-14)26-12-6-9-19(25)24-20-23-16-7-4-5-8-18(16)27-20/h4-5,7-8,10-11,13H,6,9,12H2,1-3H3,(H,23,24,25)