(E)-N-[(1,3-benzodioxol-5-ylcarbonylamino)carbamothioyl]but-2-enamide

Systemtic Name: (E)-N-[(1,3-benzodioxol-5-ylcarbonylamino)carbamothioyl]but-2-enamide Openeye Name: (E)-N-[(1,3-benzodioxole-5-carbonylamino)carbamothioyl]but-2-enamide CAS Name: (E)-N-[[[1,3-benzodioxol-5-yl(oxo)methyl]hydrazo]-sulfanylidenemethyl]-2-butenamide IUPAC Name: (E)-N-[(1,3-benzodioxole-5-carbonylamino)carbamothioyl]but-2-enamide Traditional Name: (E)-N-[(piperonyloylamino)thiocarbamoyl]but-2-enamide Formula: C13H13N3O4S MolecularWeight: 307.32502

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Descriptors Computed from Structure

Canonical SMILES:

CC=CC(=O)NC(=S)NNC(=O)C1=CC2=C(C=C1)OCO2

Isomeric SMILES

C/C=C/C(=O)NC(=S)NNC(=O)C1=CC2=C(C=C1)OCO2

InChI

InChI=1S/C13H13N3O4S/c1-2-3-11(17)14-13(21)16-15-12(18)8-4-5-9-10(6-8)20-7-19-9/h2-6H,7H2,1H3,(H,15,18)(H2,14,16,17,21)/b3-2+