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

Systemtic Name: [2-[(E)-[(3-methylphenyl)carbamothioylhydrazinylidene]methyl]phenyl] 4-chloranylbenzoate Openeye Name: [2-[(E)-(m-tolylcarbamothioylhydrazono)methyl]phenyl] 4-chlorobenzoate CAS Name: 4-chlorobenzoic acid [2-[(E)-[[(3-methylanilino)-sulfanylidenemethyl]hydrazinylidene]methyl]phenyl] ester IUPAC Name: [2-[(E)-[(3-methylphenyl)carbamothioylhydrazinylidene]methyl]phenyl] 4-chlorobenzoate Traditional Name: 4-chlorobenzoic acid [2-[(E)-(m-tolylthiocarbamoylhydrazono)methyl]phenyl] ester Formula: C22H18ClN3O2S MolecularWeight: 423.91522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=S)NN=CC2=CC=CC=C2OC(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=CC(=CC=C1)NC(=S)N/N=C/C2=CC=CC=C2OC(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H18ClN3O2S/c1-15-5-4-7-19(13-15)25-22(29)26-24-14-17-6-2-3-8-20(17)28-21(27)16-9-11-18(23)12-10-16/h2-14H,1H3,(H2,25,26,29)/b24-14+