(4E)-4-(carbamothioylhydrazinylidene)-4-(3,4-dimethoxyphenyl)butanoic acid

Systemtic Name: (4E)-4-(carbamothioylhydrazinylidene)-4-(3,4-dimethoxyphenyl)butanoic acid Openeye Name: (4E)-4-(carbamothioylhydrazono)-4-(3,4-dimethoxyphenyl)butanoic acid CAS Name: (4E)-4-(carbamothioylhydrazinylidene)-4-(3,4-dimethoxyphenyl)butanoic acid IUPAC Name: (4E)-4-(carbamothioylhydrazinylidene)-4-(3,4-dimethoxyphenyl)butanoic acid Traditional Name: (4E)-4-(3,4-dimethoxyphenyl)-4-(thiocarbamoylhydrazono)butyric acid Formula: C13H17N3O4S MolecularWeight: 311.35678

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=NNC(=S)N)CCC(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)/C(=N/NC(=S)N)/CCC(=O)O)OC

InChI

InChI=1S/C13H17N3O4S/c1-19-10-5-3-8(7-11(10)20-2)9(4-6-12(17)18)15-16-13(14)21/h3,5,7H,4,6H2,1-2H3,(H,17,18)(H3,14,16,21)/b15-9+