N-[2-[2-(1,3-benzodioxol-5-ylmethylcarbamothioyl)hydrazinyl]-2-oxidanylidene-ethyl]-3-nitro-benzamide

Systemtic Name: N-[2-[2-(1,3-benzodioxol-5-ylmethylcarbamothioyl)hydrazinyl]-2-oxidanylidene-ethyl]-3-nitro-benzamide Openeye Name: N-[2-[2-(1,3-benzodioxol-5-ylmethylcarbamothioyl)hydrazino]-2-oxo-ethyl]-3-nitro-benzamide CAS Name: N-[2-[[(1,3-benzodioxol-5-ylmethylamino)-sulfanylidenemethyl]hydrazo]-2-oxoethyl]-3-nitrobenzamide IUPAC Name: N-[2-[2-(1,3-benzodioxol-5-ylmethylcarbamothioyl)hydrazinyl]-2-oxoethyl]-3-nitrobenzamide Traditional Name: N-[2-keto-2-[N'-(piperonylthiocarbamoyl)hydrazino]ethyl]-3-nitro-benzamide Formula: C18H17N5O6S MolecularWeight: 431.42248

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=S)NNC(=O)CNC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=S)NNC(=O)CNC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H17N5O6S/c24-16(9-19-17(25)12-2-1-3-13(7-12)23(26)27)21-22-18(30)20-8-11-4-5-14-15(6-11)29-10-28-14/h1-7H,8-10H2,(H,19,25)(H,21,24)(H2,20,22,30)