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

Systemtic Name: [4-[(E)-[(3-methylphenyl)carbamothioylhydrazinylidene]methyl]phenyl] 2-bromanylbenzoate Openeye Name: [4-[(E)-(m-tolylcarbamothioylhydrazono)methyl]phenyl] 2-bromobenzoate CAS Name: 2-bromobenzoic acid [4-[(E)-[[(3-methylanilino)-sulfanylidenemethyl]hydrazinylidene]methyl]phenyl] ester IUPAC Name: [4-[(E)-[(3-methylphenyl)carbamothioylhydrazinylidene]methyl]phenyl] 2-bromobenzoate Traditional Name: 2-bromobenzoic acid [4-[(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=CC=C(C=C2)OC(=O)C3=CC=CC=C3Br

Isomeric SMILES

CC1=CC(=CC=C1)NC(=S)N/N=C/C2=CC=C(C=C2)OC(=O)C3=CC=CC=C3Br

InChI

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