[4-bromanyl-2-[(E)-(phenylcarbamothioylhydrazinylidene)methyl]phenyl] 4-methoxybenzoate

Systemtic Name: [4-bromanyl-2-[(E)-(phenylcarbamothioylhydrazinylidene)methyl]phenyl] 4-methoxybenzoate Openeye Name: [4-bromo-2-[(E)-(phenylcarbamothioylhydrazono)methyl]phenyl] 4-methoxybenzoate CAS Name: 4-methoxybenzoic acid [2-[(E)-[[anilino(sulfanylidene)methyl]hydrazinylidene]methyl]-4-bromophenyl] ester IUPAC Name: [4-bromo-2-[(E)-(phenylcarbamothioylhydrazinylidene)methyl]phenyl] 4-methoxybenzoate Traditional Name: 4-methoxybenzoic acid [4-bromo-2-[(E)-(phenylthiocarbamoylhydrazono)methyl]phenyl] ester Formula: C22H18BrN3O3S MolecularWeight: 484.36562

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)Br)C=NNC(=S)NC3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)Br)/C=N/NC(=S)NC3=CC=CC=C3

InChI

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