[4-[(E)-[(3-chlorophenyl)carbamothioylhydrazinylidene]methyl]phenyl] 4-ethoxybenzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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