2-(4-bromanyl-2-tert-butyl-phenoxy)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]ethanamide

Systemtic Name: 2-(4-bromanyl-2-tert-butyl-phenoxy)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]ethanamide Openeye Name: 2-(4-bromo-2-tert-butyl-phenoxy)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide CAS Name: 2-(4-bromo-2-tert-butylphenoxy)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide IUPAC Name: 2-(4-bromo-2-tert-butylphenoxy)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide Traditional Name: 2-(4-bromo-2-tert-butyl-phenoxy)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide Formula: C26H25BrN2O2S MolecularWeight: 509.4579

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)COC4=C(C=C(C=C4)Br)C(C)(C)C

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)COC4=C(C=C(C=C4)Br)C(C)(C)C

InChI

InChI=1S/C26H25BrN2O2S/c1-16-5-11-21-23(13-16)32-25(29-21)17-6-9-19(10-7-17)28-24(30)15-31-22-12-8-18(27)14-20(22)26(2,3)4/h5-14H,15H2,1-4H3,(H,28,30)