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

Systemtic Name: 4-[[4-bromanyl-2-[(ethylcarbamothioylhydrazinylidene)methyl]phenoxy]methyl]benzoic acid Openeye Name: 4-[[4-bromo-2-[(ethylcarbamothioylhydrazono)methyl]phenoxy]methyl]benzoic acid CAS Name: 4-[[4-bromo-2-[[[ethylamino(sulfanylidene)methyl]hydrazinylidene]methyl]phenoxy]methyl]benzoic acid IUPAC Name: 4-[[4-bromo-2-[(ethylcarbamothioylhydrazinylidene)methyl]phenoxy]methyl]benzoic acid Traditional Name: 4-[[4-bromo-2-[(ethylthiocarbamoylhydrazono)methyl]phenoxy]methyl]benzoic acid Formula: C18H18BrN3O3S MolecularWeight: 436.32282

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18BrN3O3S/c1-2-20-18(26)22-21-10-14-9-15(19)7-8-16(14)25-11-12-3-5-13(6-4-12)17(23)24/h3-10H,2,11H2,1H3,(H,23,24)(H2,20,22,26)