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

Systemtic Name: 2-[3-(1,3-benzodioxol-5-ylmethyl)-5-oxidanylidene-1-phenethyl-2-sulfanylidene-imidazolidin-4-yl]-N-(4-iodophenyl)ethanamide Openeye Name: 2-[3-(1,3-benzodioxol-5-ylmethyl)-5-oxo-1-phenethyl-2-thioxo-imidazolidin-4-yl]-N-(4-iodophenyl)acetamide CAS Name: 2-[3-(1,3-benzodioxol-5-ylmethyl)-5-oxo-1-phenethyl-2-sulfanylidene-4-imidazolidinyl]-N-(4-iodophenyl)acetamide IUPAC Name: 2-[3-(1,3-benzodioxol-5-ylmethyl)-5-oxo-1-phenethyl-2-sulfanylideneimidazolidin-4-yl]-N-(4-iodophenyl)acetamide Traditional Name: N-(4-iodophenyl)-2-(5-keto-1-phenethyl-3-piperonyl-2-thioxo-imidazolidin-4-yl)acetamide Formula: C27H24IN3O4S MolecularWeight: 613.46663

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CN3C(C(=O)N(C3=S)CCC4=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)CCC4=CC=CC=C4)CC(=O)NC5=CC=C(C=C5)I

InChI

InChI=1S/C27H24IN3O4S/c28-20-7-9-21(10-8-20)29-25(32)15-22-26(33)30(13-12-18-4-2-1-3-5-18)27(36)31(22)16-19-6-11-23-24(14-19)35-17-34-23/h1-11,14,22H,12-13,15-17H2,(H,29,32)