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

Systemtic Name: [4-[(E)-[(3-chlorophenyl)carbamothioylhydrazinylidene]methyl]-2-methoxy-phenyl] 3-bromanylbenzoate Openeye Name: [4-[(E)-[(3-chlorophenyl)carbamothioylhydrazono]methyl]-2-methoxy-phenyl] 3-bromobenzoate CAS Name: 3-bromobenzoic acid [4-[(E)-[[(3-chloroanilino)-sulfanylidenemethyl]hydrazinylidene]methyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-[(3-chlorophenyl)carbamothioylhydrazinylidene]methyl]-2-methoxyphenyl] 3-bromobenzoate Traditional Name: 3-bromobenzoic acid [4-[(E)-[(3-chlorophenyl)thiocarbamoylhydrazono]methyl]-2-methoxy-phenyl] ester Formula: C22H17BrClN3O3S MolecularWeight: 518.81068

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H17BrClN3O3S/c1-29-20-10-14(13-25-27-22(31)26-18-7-3-6-17(24)12-18)8-9-19(20)30-21(28)15-4-2-5-16(23)11-15/h2-13H,1H3,(H2,26,27,31)/b25-13+