N-[2-(1,3-benzothiazol-2-yl)-4-iodanyl-phenyl]-2-(3,5-dimethylphenoxy)ethanamide

Systemtic Name: N-[2-(1,3-benzothiazol-2-yl)-4-iodanyl-phenyl]-2-(3,5-dimethylphenoxy)ethanamide Openeye Name: N-[2-(1,3-benzothiazol-2-yl)-4-iodo-phenyl]-2-(3,5-dimethylphenoxy)acetamide CAS Name: N-[2-(1,3-benzothiazol-2-yl)-4-iodophenyl]-2-(3,5-dimethylphenoxy)acetamide IUPAC Name: N-[2-(1,3-benzothiazol-2-yl)-4-iodophenyl]-2-(3,5-dimethylphenoxy)acetamide Traditional Name: N-[2-(1,3-benzothiazol-2-yl)-4-iodo-phenyl]-2-(3,5-dimethylphenoxy)acetamide Formula: C23H19IN2O2S MolecularWeight: 514.37863

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCC(=O)NC2=C(C=C(C=C2)I)C3=NC4=CC=CC=C4S3)C

Isomeric SMILES

CC1=CC(=CC(=C1)OCC(=O)NC2=C(C=C(C=C2)I)C3=NC4=CC=CC=C4S3)C

InChI

InChI=1S/C23H19IN2O2S/c1-14-9-15(2)11-17(10-14)28-13-22(27)25-19-8-7-16(24)12-18(19)23-26-20-5-3-4-6-21(20)29-23/h3-12H,13H2,1-2H3,(H,25,27)