4-[2-(1,3-benzodioxol-5-ylmethylcarbamothioyl)hydrazinyl]benzoate

Systemtic Name: 4-[2-(1,3-benzodioxol-5-ylmethylcarbamothioyl)hydrazinyl]benzoate Openeye Name: 4-[2-(1,3-benzodioxol-5-ylmethylcarbamothioyl)hydrazino]benzoate CAS Name: 4-[[(1,3-benzodioxol-5-ylmethylamino)-sulfanylidenemethyl]hydrazo]benzoate IUPAC Name: 4-[2-(1,3-benzodioxol-5-ylmethylcarbamothioyl)hydrazinyl]benzoate Traditional Name: 4-[N'-(piperonylthiocarbamoyl)hydrazino]benzoate Formula: C16H14N3O4S- MolecularWeight: 344.36506

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=S)NNC3=CC=C(C=C3)C(=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=S)NNC3=CC=C(C=C3)C(=O)[O-]

InChI

InChI=1S/C16H15N3O4S/c20-15(21)11-2-4-12(5-3-11)18-19-16(24)17-8-10-1-6-13-14(7-10)23-9-22-13/h1-7,18H,8-9H2,(H,20,21)(H2,17,19,24)/p-1