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

Systemtic Name: [4-bromanyl-2-[(E)-[(4-methoxyphenyl)carbamothioylhydrazinylidene]methyl]phenyl] benzoate Openeye Name: [4-bromo-2-[(E)-[(4-methoxyphenyl)carbamothioylhydrazono]methyl]phenyl] benzoate CAS Name: benzoic acid [4-bromo-2-[(E)-[[(4-methoxyanilino)-sulfanylidenemethyl]hydrazinylidene]methyl]phenyl] ester IUPAC Name: [4-bromo-2-[(E)-[(4-methoxyphenyl)carbamothioylhydrazinylidene]methyl]phenyl] benzoate Traditional Name: benzoic acid [4-bromo-2-[(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=C(C=CC(=C2)Br)OC(=O)C3=CC=CC=C3

Isomeric SMILES

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

InChI

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