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

Systemtic Name: N-[2-(1,3-benzothiazol-2-yl)-4-iodanyl-phenyl]-2-(4-tert-butylphenoxy)ethanamide Openeye Name: N-[2-(1,3-benzothiazol-2-yl)-4-iodo-phenyl]-2-(4-tert-butylphenoxy)acetamide CAS Name: N-[2-(1,3-benzothiazol-2-yl)-4-iodophenyl]-2-(4-tert-butylphenoxy)acetamide IUPAC Name: N-[2-(1,3-benzothiazol-2-yl)-4-iodophenyl]-2-(4-tert-butylphenoxy)acetamide Traditional Name: N-[2-(1,3-benzothiazol-2-yl)-4-iodo-phenyl]-2-(4-tert-butylphenoxy)acetamide Formula: C25H23IN2O2S MolecularWeight: 542.43179

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OCC(=O)NC2=C(C=C(C=C2)I)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OCC(=O)NC2=C(C=C(C=C2)I)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C25H23IN2O2S/c1-25(2,3)16-8-11-18(12-9-16)30-15-23(29)27-20-13-10-17(26)14-19(20)24-28-21-6-4-5-7-22(21)31-24/h4-14H,15H2,1-3H3,(H,27,29)