N-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl]-N-(2-methylphenyl)-5-oxidanylidene-thiolane-3-carboxamide

Systemtic Name: N-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl]-N-(2-methylphenyl)-5-oxidanylidene-thiolane-3-carboxamide Openeye Name: N-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethyl]-N-(o-tolyl)-5-oxo-tetrahydrothiophene-3-carboxamide CAS Name: N-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-N-(2-methylphenyl)-5-oxo-3-thiolanecarboxamide IUPAC Name: N-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-N-(2-methylphenyl)-5-oxothiolane-3-carboxamide Traditional Name: 5-keto-N-[2-keto-2-(piperonylamino)ethyl]-N-(o-tolyl)tetrahydrothiophene-3-carboxamide Formula: C22H22N2O5S MolecularWeight: 426.48548

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N(CC(=O)NCC2=CC3=C(C=C2)OCO3)C(=O)C4CC(=O)SC4

Isomeric SMILES

CC1=CC=CC=C1N(CC(=O)NCC2=CC3=C(C=C2)OCO3)C(=O)C4CC(=O)SC4

InChI

InChI=1S/C22H22N2O5S/c1-14-4-2-3-5-17(14)24(22(27)16-9-21(26)30-12-16)11-20(25)23-10-15-6-7-18-19(8-15)29-13-28-18/h2-8,16H,9-13H2,1H3,(H,23,25)