(3E)-3-(carbamothioylhydrazinylidene)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)butanamide

Systemtic Name: (3E)-3-(carbamothioylhydrazinylidene)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)butanamide Openeye Name: (3E)-3-(carbamothioylhydrazono)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)butanamide CAS Name: (3E)-3-(carbamothioylhydrazinylidene)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)butanamide IUPAC Name: (3E)-3-(carbamothioylhydrazinylidene)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)butanamide Traditional Name: (3E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(thiocarbamoylhydrazono)butyramide Formula: C13H16N4O3S MolecularWeight: 308.35614

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=S)N)CC(=O)NC1=CC2=C(C=C1)OCCO2

Isomeric SMILES

C/C(=N\NC(=S)N)/CC(=O)NC1=CC2=C(C=C1)OCCO2

InChI

InChI=1S/C13H16N4O3S/c1-8(16-17-13(14)21)6-12(18)15-9-2-3-10-11(7-9)20-5-4-19-10/h2-3,7H,4-6H2,1H3,(H,15,18)(H3,14,17,21)/b16-8+