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

Systemtic Name: [4-[(E)-[(3-chlorophenyl)carbamothioylhydrazinylidene]methyl]phenyl] 4-bromanylbenzoate Openeye Name: [4-[(E)-[(3-chlorophenyl)carbamothioylhydrazono]methyl]phenyl] 4-bromobenzoate CAS Name: 4-bromobenzoic acid [4-[(E)-[[(3-chloroanilino)-sulfanylidenemethyl]hydrazinylidene]methyl]phenyl] ester IUPAC Name: [4-[(E)-[(3-chlorophenyl)carbamothioylhydrazinylidene]methyl]phenyl] 4-bromobenzoate Traditional Name: 4-bromobenzoic acid [4-[(E)-[(3-chlorophenyl)thiocarbamoylhydrazono]methyl]phenyl] ester Formula: C21H15BrClN3O2S MolecularWeight: 488.7847

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H15BrClN3O2S/c22-16-8-6-15(7-9-16)20(27)28-19-10-4-14(5-11-19)13-24-26-21(29)25-18-3-1-2-17(23)12-18/h1-13H,(H2,25,26,29)/b24-13+