(4E)-4-(4-ethoxyphenyl)-4-(propan-2-ylcarbamothioylhydrazinylidene)butanoic acid

Systemtic Name: (4E)-4-(4-ethoxyphenyl)-4-(propan-2-ylcarbamothioylhydrazinylidene)butanoic acid Openeye Name: (4E)-4-(4-ethoxyphenyl)-4-(isopropylcarbamothioylhydrazono)butanoic acid CAS Name: (4E)-4-(4-ethoxyphenyl)-4-[[(propan-2-ylamino)-sulfanylidenemethyl]hydrazinylidene]butanoic acid IUPAC Name: (4E)-4-(4-ethoxyphenyl)-4-(propan-2-ylcarbamothioylhydrazinylidene)butanoic acid Traditional Name: (4E)-4-(isopropylthiocarbamoylhydrazono)-4-p-phenetyl-butyric acid Formula: C16H23N3O3S MolecularWeight: 337.43712

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=NNC(=S)NC(C)C)CCC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C16H23N3O3S/c1-4-22-13-7-5-12(6-8-13)14(9-10-15(20)21)18-19-16(23)17-11(2)3/h5-8,11H,4,9-10H2,1-3H3,(H,20,21)(H2,17,19,23)/b18-14+