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

Systemtic Name: 2-[3-(1,3-benzodioxol-5-ylmethyl)-5-oxidanylidene-1-phenyl-2-sulfanylidene-imidazolidin-4-yl]-N-(4-hexoxyphenyl)ethanamide Openeye Name: 2-[3-(1,3-benzodioxol-5-ylmethyl)-5-oxo-1-phenyl-2-thioxo-imidazolidin-4-yl]-N-(4-hexoxyphenyl)acetamide CAS Name: 2-[3-(1,3-benzodioxol-5-ylmethyl)-5-oxo-1-phenyl-2-sulfanylidene-4-imidazolidinyl]-N-(4-hexoxyphenyl)acetamide IUPAC Name: 2-[3-(1,3-benzodioxol-5-ylmethyl)-5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl]-N-(4-hexoxyphenyl)acetamide Traditional Name: N-(4-hexoxyphenyl)-2-(5-keto-1-phenyl-3-piperonyl-2-thioxo-imidazolidin-4-yl)acetamide Formula: C31H33N3O5S MolecularWeight: 559.67582

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)NC(=O)CC2C(=O)N(C(=S)N2CC3=CC4=C(C=C3)OCO4)C5=CC=CC=C5

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)NC(=O)CC2C(=O)N(C(=S)N2CC3=CC4=C(C=C3)OCO4)C5=CC=CC=C5

InChI

InChI=1S/C31H33N3O5S/c1-2-3-4-8-17-37-25-14-12-23(13-15-25)32-29(35)19-26-30(36)34(24-9-6-5-7-10-24)31(40)33(26)20-22-11-16-27-28(18-22)39-21-38-27/h5-7,9-16,18,26H,2-4,8,17,19-21H2,1H3,(H,32,35)