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

Systemtic Name: [4-[(E)-[(3-chlorophenyl)carbamothioylhydrazinylidene]methyl]phenyl] 4-methoxybenzoate Openeye Name: [4-[(E)-[(3-chlorophenyl)carbamothioylhydrazono]methyl]phenyl] 4-methoxybenzoate CAS Name: 4-methoxybenzoic acid [4-[(E)-[[(3-chloroanilino)-sulfanylidenemethyl]hydrazinylidene]methyl]phenyl] ester IUPAC Name: [4-[(E)-[(3-chlorophenyl)carbamothioylhydrazinylidene]methyl]phenyl] 4-methoxybenzoate Traditional Name: 4-methoxybenzoic acid [4-[(E)-[(3-chlorophenyl)thiocarbamoylhydrazono]methyl]phenyl] ester Formula: C22H18ClN3O3S MolecularWeight: 439.91462

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C=NNC(=S)NC3=CC(=CC=C3)Cl

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)/C=N/NC(=S)NC3=CC(=CC=C3)Cl

InChI

InChI=1S/C22H18ClN3O3S/c1-28-19-11-7-16(8-12-19)21(27)29-20-9-5-15(6-10-20)14-24-26-22(30)25-18-4-2-3-17(23)13-18/h2-14H,1H3,(H2,25,26,30)/b24-14+