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

Systemtic Name: 2-[3-(1,3-benzodioxol-5-ylmethyl)-5-oxidanylidene-1-phenethyl-2-sulfanylidene-imidazolidin-4-yl]-N-(4-propoxyphenyl)ethanamide Openeye Name: 2-[3-(1,3-benzodioxol-5-ylmethyl)-5-oxo-1-phenethyl-2-thioxo-imidazolidin-4-yl]-N-(4-propoxyphenyl)acetamide CAS Name: 2-[3-(1,3-benzodioxol-5-ylmethyl)-5-oxo-1-phenethyl-2-sulfanylidene-4-imidazolidinyl]-N-(4-propoxyphenyl)acetamide IUPAC Name: 2-[3-(1,3-benzodioxol-5-ylmethyl)-5-oxo-1-phenethyl-2-sulfanylideneimidazolidin-4-yl]-N-(4-propoxyphenyl)acetamide Traditional Name: 2-(5-keto-1-phenethyl-3-piperonyl-2-thioxo-imidazolidin-4-yl)-N-(4-propoxyphenyl)acetamide Formula: C30H31N3O5S MolecularWeight: 545.64924

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)NC(=O)CC2C(=O)N(C(=S)N2CC3=CC4=C(C=C3)OCO4)CCC5=CC=CC=C5

Isomeric SMILES

CCCOC1=CC=C(C=C1)NC(=O)CC2C(=O)N(C(=S)N2CC3=CC4=C(C=C3)OCO4)CCC5=CC=CC=C5

InChI

InChI=1S/C30H31N3O5S/c1-2-16-36-24-11-9-23(10-12-24)31-28(34)18-25-29(35)32(15-14-21-6-4-3-5-7-21)30(39)33(25)19-22-8-13-26-27(17-22)38-20-37-26/h3-13,17,25H,2,14-16,18-20H2,1H3,(H,31,34)