[2-ethoxy-4-[(E)-[(3-methylphenyl)carbamothioylhydrazinylidene]methyl]phenyl] 4-ethoxybenzoate

Systemtic Name: [2-ethoxy-4-[(E)-[(3-methylphenyl)carbamothioylhydrazinylidene]methyl]phenyl] 4-ethoxybenzoate Openeye Name: [2-ethoxy-4-[(E)-(m-tolylcarbamothioylhydrazono)methyl]phenyl] 4-ethoxybenzoate CAS Name: 4-ethoxybenzoic acid [2-ethoxy-4-[(E)-[[(3-methylanilino)-sulfanylidenemethyl]hydrazinylidene]methyl]phenyl] ester IUPAC Name: [2-ethoxy-4-[(E)-[(3-methylphenyl)carbamothioylhydrazinylidene]methyl]phenyl] 4-ethoxybenzoate Traditional Name: 4-ethoxybenzoic acid [2-ethoxy-4-[(E)-(m-tolylthiocarbamoylhydrazono)methyl]phenyl] ester Formula: C26H27N3O4S MolecularWeight: 477.57528

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)C=NNC(=S)NC3=CC=CC(=C3)C)OCC

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)/C=N/NC(=S)NC3=CC=CC(=C3)C)OCC

InChI

InChI=1S/C26H27N3O4S/c1-4-31-22-12-10-20(11-13-22)25(30)33-23-14-9-19(16-24(23)32-5-2)17-27-29-26(34)28-21-8-6-7-18(3)15-21/h6-17H,4-5H2,1-3H3,(H2,28,29,34)/b27-17+