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

Systemtic Name: [4-[(E)-[(3-chlorophenyl)carbamothioylhydrazinylidene]methyl]-2-ethoxy-phenyl] 4-propoxybenzoate Openeye Name: [4-[(E)-[(3-chlorophenyl)carbamothioylhydrazono]methyl]-2-ethoxy-phenyl] 4-propoxybenzoate CAS Name: 4-propoxybenzoic acid [4-[(E)-[[(3-chloroanilino)-sulfanylidenemethyl]hydrazinylidene]methyl]-2-ethoxyphenyl] ester IUPAC Name: [4-[(E)-[(3-chlorophenyl)carbamothioylhydrazinylidene]methyl]-2-ethoxyphenyl] 4-propoxybenzoate Traditional Name: 4-propoxybenzoic acid [4-[(E)-[(3-chlorophenyl)thiocarbamoylhydrazono]methyl]-2-ethoxy-phenyl] ester Formula: C26H26ClN3O4S MolecularWeight: 512.02034

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)C=NNC(=S)NC3=CC(=CC=C3)Cl)OCC

Isomeric SMILES

CCCOC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)/C=N/NC(=S)NC3=CC(=CC=C3)Cl)OCC

InChI

InChI=1S/C26H26ClN3O4S/c1-3-14-33-22-11-9-19(10-12-22)25(31)34-23-13-8-18(15-24(23)32-4-2)17-28-30-26(35)29-21-7-5-6-20(27)16-21/h5-13,15-17H,3-4,14H2,1-2H3,(H2,29,30,35)/b28-17+