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

Systemtic Name: 2-[3-(1,3-benzodioxol-5-ylmethyl)-5-oxidanylidene-1-phenethyl-2-sulfanylidene-imidazolidin-4-yl]-N-(4-ethoxyphenyl)ethanamide Openeye Name: 2-[3-(1,3-benzodioxol-5-ylmethyl)-5-oxo-1-phenethyl-2-thioxo-imidazolidin-4-yl]-N-(4-ethoxyphenyl)acetamide CAS Name: 2-[3-(1,3-benzodioxol-5-ylmethyl)-5-oxo-1-phenethyl-2-sulfanylidene-4-imidazolidinyl]-N-(4-ethoxyphenyl)acetamide IUPAC Name: 2-[3-(1,3-benzodioxol-5-ylmethyl)-5-oxo-1-phenethyl-2-sulfanylideneimidazolidin-4-yl]-N-(4-ethoxyphenyl)acetamide Traditional Name: 2-(5-keto-1-phenethyl-3-piperonyl-2-thioxo-imidazolidin-4-yl)-N-p-phenetyl-acetamide Formula: C29H29N3O5S MolecularWeight: 531.62266

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)CC2C(=O)N(C(=S)N2CC3=CC4=C(C=C3)OCO4)CCC5=CC=CC=C5

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)CC2C(=O)N(C(=S)N2CC3=CC4=C(C=C3)OCO4)CCC5=CC=CC=C5

InChI

InChI=1S/C29H29N3O5S/c1-2-35-23-11-9-22(10-12-23)30-27(33)17-24-28(34)31(15-14-20-6-4-3-5-7-20)29(38)32(24)18-21-8-13-25-26(16-21)37-19-36-25/h3-13,16,24H,2,14-15,17-19H2,1H3,(H,30,33)