2-[(E)-(3-methoxypropylcarbamothioylhydrazinylidene)methyl]benzoic acid

Systemtic Name: 2-[(E)-(3-methoxypropylcarbamothioylhydrazinylidene)methyl]benzoic acid Openeye Name: 2-[(E)-(3-methoxypropylcarbamothioylhydrazono)methyl]benzoic acid CAS Name: 2-[(E)-[[(3-methoxypropylamino)-sulfanylidenemethyl]hydrazinylidene]methyl]benzoic acid IUPAC Name: 2-[(E)-(3-methoxypropylcarbamothioylhydrazinylidene)methyl]benzoic acid Traditional Name: 2-[(E)-(3-methoxypropylthiocarbamoylhydrazono)methyl]benzoic acid Formula: C13H17N3O3S MolecularWeight: 295.35738

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Descriptors Computed from Structure

Canonical SMILES:

COCCCNC(=S)NN=CC1=CC=CC=C1C(=O)O

Isomeric SMILES

COCCCNC(=S)N/N=C/C1=CC=CC=C1C(=O)O

InChI

InChI=1S/C13H17N3O3S/c1-19-8-4-7-14-13(20)16-15-9-10-5-2-3-6-11(10)12(17)18/h2-3,5-6,9H,4,7-8H2,1H3,(H,17,18)(H2,14,16,20)/b15-9+