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

Systemtic Name: [4-bromanyl-2-[(E)-[(3-methylphenyl)carbamothioylhydrazinylidene]methyl]phenyl] benzoate Openeye Name: [4-bromo-2-[(E)-(m-tolylcarbamothioylhydrazono)methyl]phenyl] benzoate CAS Name: benzoic acid [4-bromo-2-[(E)-[[(3-methylanilino)-sulfanylidenemethyl]hydrazinylidene]methyl]phenyl] ester IUPAC Name: [4-bromo-2-[(E)-[(3-methylphenyl)carbamothioylhydrazinylidene]methyl]phenyl] benzoate Traditional Name: benzoic acid [4-bromo-2-[(E)-(m-tolylthiocarbamoylhydrazono)methyl]phenyl] ester Formula: C22H18BrN3O2S MolecularWeight: 468.36622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=S)NN=CC2=C(C=CC(=C2)Br)OC(=O)C3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C22H18BrN3O2S/c1-15-6-5-9-19(12-15)25-22(29)26-24-14-17-13-18(23)10-11-20(17)28-21(27)16-7-3-2-4-8-16/h2-14H,1H3,(H2,25,26,29)/b24-14+