N-[2-(1,3-benzothiazol-2-yl)-4-iodanyl-phenyl]-2-(4-bromanylphenoxy)ethanamide

Systemtic Name: N-[2-(1,3-benzothiazol-2-yl)-4-iodanyl-phenyl]-2-(4-bromanylphenoxy)ethanamide Openeye Name: N-[2-(1,3-benzothiazol-2-yl)-4-iodo-phenyl]-2-(4-bromophenoxy)acetamide CAS Name: N-[2-(1,3-benzothiazol-2-yl)-4-iodophenyl]-2-(4-bromophenoxy)acetamide IUPAC Name: N-[2-(1,3-benzothiazol-2-yl)-4-iodophenyl]-2-(4-bromophenoxy)acetamide Traditional Name: N-[2-(1,3-benzothiazol-2-yl)-4-iodo-phenyl]-2-(4-bromophenoxy)acetamide Formula: C21H14BrIN2O2S MolecularWeight: 565.22153

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C3=C(C=CC(=C3)I)NC(=O)COC4=CC=C(C=C4)Br

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)C3=C(C=CC(=C3)I)NC(=O)COC4=CC=C(C=C4)Br

InChI

InChI=1S/C21H14BrIN2O2S/c22-13-5-8-15(9-6-13)27-12-20(26)24-17-10-7-14(23)11-16(17)21-25-18-3-1-2-4-19(18)28-21/h1-11H,12H2,(H,24,26)