2-[3-(1,3-benzodioxol-5-ylmethyl)-5-oxidanylidene-1-(phenylmethyl)-2-sulfanylidene-imidazolidin-4-yl]-N-(4-iodophenyl)ethanamide

Systemtic Name: 2-[3-(1,3-benzodioxol-5-ylmethyl)-5-oxidanylidene-1-(phenylmethyl)-2-sulfanylidene-imidazolidin-4-yl]-N-(4-iodophenyl)ethanamide Openeye Name: 2-[3-(1,3-benzodioxol-5-ylmethyl)-1-benzyl-5-oxo-2-thioxo-imidazolidin-4-yl]-N-(4-iodophenyl)acetamide CAS Name: 2-[3-(1,3-benzodioxol-5-ylmethyl)-5-oxo-1-(phenylmethyl)-2-sulfanylidene-4-imidazolidinyl]-N-(4-iodophenyl)acetamide IUPAC Name: 2-[3-(1,3-benzodioxol-5-ylmethyl)-1-benzyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-iodophenyl)acetamide Traditional Name: 2-(1-benzyl-5-keto-3-piperonyl-2-thioxo-imidazolidin-4-yl)-N-(4-iodophenyl)acetamide Formula: C26H22IN3O4S MolecularWeight: 599.44005

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CN3C(C(=O)N(C3=S)CC4=CC=CC=C4)CC(=O)NC5=CC=C(C=C5)I

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CN3C(C(=O)N(C3=S)CC4=CC=CC=C4)CC(=O)NC5=CC=C(C=C5)I

InChI

InChI=1S/C26H22IN3O4S/c27-19-7-9-20(10-8-19)28-24(31)13-21-25(32)30(14-17-4-2-1-3-5-17)26(35)29(21)15-18-6-11-22-23(12-18)34-16-33-22/h1-12,21H,13-16H2,(H,28,31)