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

Systemtic Name: [3-[(E)-[(3-methylphenyl)carbamothioylhydrazinylidene]methyl]phenyl] 4-chloranylbenzoate Openeye Name: [3-[(E)-(m-tolylcarbamothioylhydrazono)methyl]phenyl] 4-chlorobenzoate CAS Name: 4-chlorobenzoic acid [3-[(E)-[[(3-methylanilino)-sulfanylidenemethyl]hydrazinylidene]methyl]phenyl] ester IUPAC Name: [3-[(E)-[(3-methylphenyl)carbamothioylhydrazinylidene]methyl]phenyl] 4-chlorobenzoate Traditional Name: 4-chlorobenzoic acid [3-[(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=C2)OC(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

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

InChI

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