N-[2-(1,3-benzothiazol-2-yl)-4-iodanyl-phenyl]-2,6-dimethoxy-benzamide

Systemtic Name: N-[2-(1,3-benzothiazol-2-yl)-4-iodanyl-phenyl]-2,6-dimethoxy-benzamide Openeye Name: N-[2-(1,3-benzothiazol-2-yl)-4-iodo-phenyl]-2,6-dimethoxy-benzamide CAS Name: N-[2-(1,3-benzothiazol-2-yl)-4-iodophenyl]-2,6-dimethoxybenzamide IUPAC Name: N-[2-(1,3-benzothiazol-2-yl)-4-iodophenyl]-2,6-dimethoxybenzamide Traditional Name: N-[2-(1,3-benzothiazol-2-yl)-4-iodo-phenyl]-2,6-dimethoxy-benzamide Formula: C22H17IN2O3S MolecularWeight: 516.35145

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC=C1)OC)C(=O)NC2=C(C=C(C=C2)I)C3=NC4=CC=CC=C4S3

Isomeric SMILES

COC1=C(C(=CC=C1)OC)C(=O)NC2=C(C=C(C=C2)I)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H17IN2O3S/c1-27-17-7-5-8-18(28-2)20(17)21(26)24-15-11-10-13(23)12-14(15)22-25-16-6-3-4-9-19(16)29-22/h3-12H,1-2H3,(H,24,26)