(4E)-4-(4-ethoxyphenyl)-4-(phenethylcarbamothioylhydrazinylidene)butanoic acid

Systemtic Name: (4E)-4-(4-ethoxyphenyl)-4-(phenethylcarbamothioylhydrazinylidene)butanoic acid Openeye Name: (4E)-4-(4-ethoxyphenyl)-4-(phenethylcarbamothioylhydrazono)butanoic acid CAS Name: (4E)-4-(4-ethoxyphenyl)-4-[[(phenethylamino)-sulfanylidenemethyl]hydrazinylidene]butanoic acid IUPAC Name: (4E)-4-(4-ethoxyphenyl)-4-(phenethylcarbamothioylhydrazinylidene)butanoic acid Traditional Name: (4E)-4-(phenethylthiocarbamoylhydrazono)-4-p-phenetyl-butyric acid Formula: C21H25N3O3S MolecularWeight: 399.5065

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=NNC(=S)NCCC2=CC=CC=C2)CCC(=O)O

Isomeric SMILES

CCOC1=CC=C(C=C1)/C(=N/NC(=S)NCCC2=CC=CC=C2)/CCC(=O)O

InChI

InChI=1S/C21H25N3O3S/c1-2-27-18-10-8-17(9-11-18)19(12-13-20(25)26)23-24-21(28)22-15-14-16-6-4-3-5-7-16/h3-11H,2,12-15H2,1H3,(H,25,26)(H2,22,24,28)/b23-19+