4-[[2-ethoxy-4-[(ethylcarbamothioylhydrazinylidene)methyl]phenoxy]methyl]benzoic acid

Systemtic Name: 4-[[2-ethoxy-4-[(ethylcarbamothioylhydrazinylidene)methyl]phenoxy]methyl]benzoic acid Openeye Name: 4-[[2-ethoxy-4-[(ethylcarbamothioylhydrazono)methyl]phenoxy]methyl]benzoic acid CAS Name: 4-[[2-ethoxy-4-[[[ethylamino(sulfanylidene)methyl]hydrazinylidene]methyl]phenoxy]methyl]benzoic acid IUPAC Name: 4-[[2-ethoxy-4-[(ethylcarbamothioylhydrazinylidene)methyl]phenoxy]methyl]benzoic acid Traditional Name: 4-[[2-ethoxy-4-[(ethylthiocarbamoylhydrazono)methyl]phenoxy]methyl]benzoic acid Formula: C20H23N3O4S MolecularWeight: 401.47932

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=S)NN=CC1=CC(=C(C=C1)OCC2=CC=C(C=C2)C(=O)O)OCC

Isomeric SMILES

CCNC(=S)NN=CC1=CC(=C(C=C1)OCC2=CC=C(C=C2)C(=O)O)OCC

InChI

InChI=1S/C20H23N3O4S/c1-3-21-20(28)23-22-12-15-7-10-17(18(11-15)26-4-2)27-13-14-5-8-16(9-6-14)19(24)25/h5-12H,3-4,13H2,1-2H3,(H,24,25)(H2,21,23,28)