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

Systemtic Name: [4-[(E)-[(4-methoxyphenyl)carbamothioylhydrazinylidene]methyl]phenyl] 3-bromanylbenzoate Openeye Name: [4-[(E)-[(4-methoxyphenyl)carbamothioylhydrazono]methyl]phenyl] 3-bromobenzoate CAS Name: 3-bromobenzoic acid [4-[(E)-[[(4-methoxyanilino)-sulfanylidenemethyl]hydrazinylidene]methyl]phenyl] ester IUPAC Name: [4-[(E)-[(4-methoxyphenyl)carbamothioylhydrazinylidene]methyl]phenyl] 3-bromobenzoate Traditional Name: 3-bromobenzoic acid [4-[(E)-[(4-methoxyphenyl)thiocarbamoylhydrazono]methyl]phenyl] ester Formula: C22H18BrN3O3S MolecularWeight: 484.36562

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=S)NN=CC2=CC=C(C=C2)OC(=O)C3=CC(=CC=C3)Br

Isomeric SMILES

COC1=CC=C(C=C1)NC(=S)N/N=C/C2=CC=C(C=C2)OC(=O)C3=CC(=CC=C3)Br

InChI

InChI=1S/C22H18BrN3O3S/c1-28-19-11-7-18(8-12-19)25-22(30)26-24-14-15-5-9-20(10-6-15)29-21(27)16-3-2-4-17(23)13-16/h2-14H,1H3,(H2,25,26,30)/b24-14+