[4-[(E)-[(3-chlorophenyl)carbamothioylhydrazinylidene]methyl]-2-ethoxy-phenyl] benzoate

Systemtic Name: [4-[(E)-[(3-chlorophenyl)carbamothioylhydrazinylidene]methyl]-2-ethoxy-phenyl] benzoate Openeye Name: [4-[(E)-[(3-chlorophenyl)carbamothioylhydrazono]methyl]-2-ethoxy-phenyl] benzoate CAS Name: benzoic acid [4-[(E)-[[(3-chloroanilino)-sulfanylidenemethyl]hydrazinylidene]methyl]-2-ethoxyphenyl] ester IUPAC Name: [4-[(E)-[(3-chlorophenyl)carbamothioylhydrazinylidene]methyl]-2-ethoxyphenyl] benzoate Traditional Name: benzoic acid [4-[(E)-[(3-chlorophenyl)thiocarbamoylhydrazono]methyl]-2-ethoxy-phenyl] ester Formula: C23H20ClN3O3S MolecularWeight: 453.9412

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=NNC(=S)NC2=CC(=CC=C2)Cl)OC(=O)C3=CC=CC=C3

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=N/NC(=S)NC2=CC(=CC=C2)Cl)OC(=O)C3=CC=CC=C3

InChI

InChI=1S/C23H20ClN3O3S/c1-2-29-21-13-16(11-12-20(21)30-22(28)17-7-4-3-5-8-17)15-25-27-23(31)26-19-10-6-9-18(24)14-19/h3-15H,2H2,1H3,(H2,26,27,31)/b25-15+