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

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

Isomeric SMILES

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

InChI

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