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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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