[2-methoxy-4-[(E)-(phenylcarbamothioylhydrazinylidene)methyl]phenyl] 3-bromanylbenzoate

Systemtic Name: [2-methoxy-4-[(E)-(phenylcarbamothioylhydrazinylidene)methyl]phenyl] 3-bromanylbenzoate Openeye Name: [2-methoxy-4-[(E)-(phenylcarbamothioylhydrazono)methyl]phenyl] 3-bromobenzoate CAS Name: 3-bromobenzoic acid [4-[(E)-[[anilino(sulfanylidene)methyl]hydrazinylidene]methyl]-2-methoxyphenyl] ester IUPAC Name: [2-methoxy-4-[(E)-(phenylcarbamothioylhydrazinylidene)methyl]phenyl] 3-bromobenzoate Traditional Name: 3-bromobenzoic acid [2-methoxy-4-[(E)-(phenylthiocarbamoylhydrazono)methyl]phenyl] ester Formula: C22H18BrN3O3S MolecularWeight: 484.36562

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=NNC(=S)NC2=CC=CC=C2)OC(=O)C3=CC(=CC=C3)Br

Isomeric SMILES

COC1=C(C=CC(=C1)/C=N/NC(=S)NC2=CC=CC=C2)OC(=O)C3=CC(=CC=C3)Br

InChI

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