N-(1,3-benzodioxol-5-ylmethyl)-N'-(2-oxidanylidenethiolan-3-yl)ethanediamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-N'-(2-oxidanylidenethiolan-3-yl)ethanediamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-N'-(2-oxotetrahydrothiophen-3-yl)oxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-N'-(2-oxo-3-thiolanyl)oxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-N'-(2-oxothiolan-3-yl)oxamide Traditional Name: N'-(2-ketotetrahydrothiophen-3-yl)-N-piperonyl-oxamide Formula: C14H14N2O5S MolecularWeight: 322.33636

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC(=O)C1NC(=O)C(=O)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

C1CSC(=O)C1NC(=O)C(=O)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C14H14N2O5S/c17-12(13(18)16-9-3-4-22-14(9)19)15-6-8-1-2-10-11(5-8)21-7-20-10/h1-2,5,9H,3-4,6-7H2,(H,15,17)(H,16,18)