2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-(3-iodanylphenyl)ethanamide

Systemtic Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-(3-iodanylphenyl)ethanamide Openeye Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-(3-iodophenyl)acetamide CAS Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-N-(3-iodophenyl)acetamide IUPAC Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-(3-iodophenyl)acetamide Traditional Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-N-(3-iodophenyl)acetamide Formula: C17H16INO3S MolecularWeight: 441.28331

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)SCC(=O)NC3=CC(=CC=C3)I)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)SCC(=O)NC3=CC(=CC=C3)I)OC1

InChI

InChI=1S/C17H16INO3S/c18-12-3-1-4-13(9-12)19-17(20)11-23-14-5-6-15-16(10-14)22-8-2-7-21-15/h1,3-6,9-10H,2,7-8,11H2,(H,19,20)