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

Systemtic Name: N-[2-[2-(1,3-benzodioxol-5-ylmethylcarbamothioyl)hydrazinyl]-2-oxidanylidene-ethyl]-2-fluoranyl-benzamide Openeye Name: N-[2-[2-(1,3-benzodioxol-5-ylmethylcarbamothioyl)hydrazino]-2-oxo-ethyl]-2-fluoro-benzamide CAS Name: N-[2-[[(1,3-benzodioxol-5-ylmethylamino)-sulfanylidenemethyl]hydrazo]-2-oxoethyl]-2-fluorobenzamide IUPAC Name: N-[2-[2-(1,3-benzodioxol-5-ylmethylcarbamothioyl)hydrazinyl]-2-oxoethyl]-2-fluorobenzamide Traditional Name: 2-fluoro-N-[2-keto-2-[N'-(piperonylthiocarbamoyl)hydrazino]ethyl]benzamide Formula: C18H17FN4O4S MolecularWeight: 404.415383

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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=C3F

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=S)NNC(=O)CNC(=O)C3=CC=CC=C3F

InChI

InChI=1S/C18H17FN4O4S/c19-13-4-2-1-3-12(13)17(25)20-9-16(24)22-23-18(28)21-8-11-5-6-14-15(7-11)27-10-26-14/h1-7H,8-10H2,(H,20,25)(H,22,24)(H2,21,23,28)