2-[2-[(E)-(1,3-benzodioxol-5-ylmethylcarbamothioylhydrazinylidene)methyl]phenoxy]ethanoic acid

Systemtic Name: 2-[2-[(E)-(1,3-benzodioxol-5-ylmethylcarbamothioylhydrazinylidene)methyl]phenoxy]ethanoic acid Openeye Name: 2-[2-[(E)-(1,3-benzodioxol-5-ylmethylcarbamothioylhydrazono)methyl]phenoxy]acetic acid CAS Name: 2-[2-[(E)-[[(1,3-benzodioxol-5-ylmethylamino)-sulfanylidenemethyl]hydrazinylidene]methyl]phenoxy]acetic acid IUPAC Name: 2-[2-[(E)-(1,3-benzodioxol-5-ylmethylcarbamothioylhydrazinylidene)methyl]phenoxy]acetic acid Traditional Name: 2-[2-[(E)-(piperonylthiocarbamoylhydrazono)methyl]phenoxy]acetic acid Formula: C18H17N3O5S MolecularWeight: 387.40968

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=S)NN=CC3=CC=CC=C3OCC(=O)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=S)N/N=C/C3=CC=CC=C3OCC(=O)O

InChI

InChI=1S/C18H17N3O5S/c22-17(23)10-24-14-4-2-1-3-13(14)9-20-21-18(27)19-8-12-5-6-15-16(7-12)26-11-25-15/h1-7,9H,8,10-11H2,(H,22,23)(H2,19,21,27)/b20-9+