4-[[2-bromanyl-6-ethoxy-4-[(ethylcarbamothioylhydrazinylidene)methyl]phenoxy]methyl]benzoic acid

Systemtic Name: 4-[[2-bromanyl-6-ethoxy-4-[(ethylcarbamothioylhydrazinylidene)methyl]phenoxy]methyl]benzoic acid Openeye Name: 4-[[2-bromo-6-ethoxy-4-[(ethylcarbamothioylhydrazono)methyl]phenoxy]methyl]benzoic acid CAS Name: 4-[[2-bromo-6-ethoxy-4-[[[ethylamino(sulfanylidene)methyl]hydrazinylidene]methyl]phenoxy]methyl]benzoic acid IUPAC Name: 4-[[2-bromo-6-ethoxy-4-[(ethylcarbamothioylhydrazinylidene)methyl]phenoxy]methyl]benzoic acid Traditional Name: 4-[[2-bromo-6-ethoxy-4-[(ethylthiocarbamoylhydrazono)methyl]phenoxy]methyl]benzoic acid Formula: C20H22BrN3O4S MolecularWeight: 480.37538

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22BrN3O4S/c1-3-22-20(29)24-23-11-14-9-16(21)18(17(10-14)27-4-2)28-12-13-5-7-15(8-6-13)19(25)26/h5-11H,3-4,12H2,1-2H3,(H,25,26)(H2,22,24,29)