2-(4-bromanyl-2-tert-butyl-phenoxy)-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]ethanamide

Systemtic Name: 2-(4-bromanyl-2-tert-butyl-phenoxy)-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]ethanamide Openeye Name: 2-(4-bromo-2-tert-butyl-phenoxy)-N-[4-(3-nitrophenyl)thiazol-2-yl]acetamide CAS Name: 2-(4-bromo-2-tert-butylphenoxy)-N-[4-(3-nitrophenyl)-2-thiazolyl]acetamide IUPAC Name: 2-(4-bromo-2-tert-butylphenoxy)-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]acetamide Traditional Name: 2-(4-bromo-2-tert-butyl-phenoxy)-N-[4-(3-nitrophenyl)thiazol-2-yl]acetamide Formula: C21H20BrN3O4S MolecularWeight: 490.3702

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=CC(=C1)Br)OCC(=O)NC2=NC(=CS2)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=C(C=CC(=C1)Br)OCC(=O)NC2=NC(=CS2)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H20BrN3O4S/c1-21(2,3)16-10-14(22)7-8-18(16)29-11-19(26)24-20-23-17(12-30-20)13-5-4-6-15(9-13)25(27)28/h4-10,12H,11H2,1-3H3,(H,23,24,26)