[4-[(E)-(cyclohexylcarbamothioylhydrazinylidene)methyl]-2-ethoxy-phenyl] benzoate

Systemtic Name: [4-[(E)-(cyclohexylcarbamothioylhydrazinylidene)methyl]-2-ethoxy-phenyl] benzoate Openeye Name: [4-[(E)-(cyclohexylcarbamothioylhydrazono)methyl]-2-ethoxy-phenyl] benzoate CAS Name: benzoic acid [4-[(E)-[[(cyclohexylamino)-sulfanylidenemethyl]hydrazinylidene]methyl]-2-ethoxyphenyl] ester IUPAC Name: [4-[(E)-(cyclohexylcarbamothioylhydrazinylidene)methyl]-2-ethoxyphenyl] benzoate Traditional Name: benzoic acid [4-[(E)-(cyclohexylthiocarbamoylhydrazono)methyl]-2-ethoxy-phenyl] ester Formula: C23H27N3O3S MolecularWeight: 425.54378

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=NNC(=S)NC2CCCCC2)OC(=O)C3=CC=CC=C3

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=N/NC(=S)NC2CCCCC2)OC(=O)C3=CC=CC=C3

InChI

InChI=1S/C23H27N3O3S/c1-2-28-21-15-17(16-24-26-23(30)25-19-11-7-4-8-12-19)13-14-20(21)29-22(27)18-9-5-3-6-10-18/h3,5-6,9-10,13-16,19H,2,4,7-8,11-12H2,1H3,(H2,25,26,30)/b24-16+