N-[4-[2-[(4-iodophenyl)amino]-2-oxidanylidene-ethyl]sulfanylphenyl]-2,6-dimethoxy-benzamide

Systemtic Name: N-[4-[2-[(4-iodophenyl)amino]-2-oxidanylidene-ethyl]sulfanylphenyl]-2,6-dimethoxy-benzamide Openeye Name: N-[4-[2-(4-iodoanilino)-2-oxo-ethyl]sulfanylphenyl]-2,6-dimethoxy-benzamide CAS Name: N-[4-[[2-(4-iodoanilino)-2-oxoethyl]thio]phenyl]-2,6-dimethoxybenzamide IUPAC Name: N-[4-[2-(4-iodoanilino)-2-oxoethyl]sulfanylphenyl]-2,6-dimethoxybenzamide Traditional Name: N-[4-[[2-(4-iodoanilino)-2-keto-ethyl]thio]phenyl]-2,6-dimethoxy-benzamide Formula: C23H21IN2O4S MolecularWeight: 548.39331

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC=C1)OC)C(=O)NC2=CC=C(C=C2)SCC(=O)NC3=CC=C(C=C3)I

Isomeric SMILES

COC1=C(C(=CC=C1)OC)C(=O)NC2=CC=C(C=C2)SCC(=O)NC3=CC=C(C=C3)I

InChI

InChI=1S/C23H21IN2O4S/c1-29-19-4-3-5-20(30-2)22(19)23(28)26-17-10-12-18(13-11-17)31-14-21(27)25-16-8-6-15(24)7-9-16/h3-13H,14H2,1-2H3,(H,25,27)(H,26,28)