[3-[(E)-[(4-methoxyphenyl)carbamothioylhydrazinylidene]methyl]phenyl] 4-chloranylbenzoate

Systemtic Name: [3-[(E)-[(4-methoxyphenyl)carbamothioylhydrazinylidene]methyl]phenyl] 4-chloranylbenzoate Openeye Name: [3-[(E)-[(4-methoxyphenyl)carbamothioylhydrazono]methyl]phenyl] 4-chlorobenzoate CAS Name: 4-chlorobenzoic acid [3-[(E)-[[(4-methoxyanilino)-sulfanylidenemethyl]hydrazinylidene]methyl]phenyl] ester IUPAC Name: [3-[(E)-[(4-methoxyphenyl)carbamothioylhydrazinylidene]methyl]phenyl] 4-chlorobenzoate Traditional Name: 4-chlorobenzoic acid [3-[(E)-[(4-methoxyphenyl)thiocarbamoylhydrazono]methyl]phenyl] ester Formula: C22H18ClN3O3S MolecularWeight: 439.91462

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=S)NN=CC2=CC(=CC=C2)OC(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

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

InChI

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