[4-[(E)-(phenylcarbamothioylhydrazinylidene)methyl]phenyl] 4-bromanylbenzoate

Systemtic Name: [4-[(E)-(phenylcarbamothioylhydrazinylidene)methyl]phenyl] 4-bromanylbenzoate Openeye Name: [4-[(E)-(phenylcarbamothioylhydrazono)methyl]phenyl] 4-bromobenzoate CAS Name: 4-bromobenzoic acid [4-[(E)-[[anilino(sulfanylidene)methyl]hydrazinylidene]methyl]phenyl] ester IUPAC Name: [4-[(E)-(phenylcarbamothioylhydrazinylidene)methyl]phenyl] 4-bromobenzoate Traditional Name: 4-bromobenzoic acid [4-[(E)-(phenylthiocarbamoylhydrazono)methyl]phenyl] ester Formula: C21H16BrN3O2S MolecularWeight: 454.33964

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H16BrN3O2S/c22-17-10-8-16(9-11-17)20(26)27-19-12-6-15(7-13-19)14-23-25-21(28)24-18-4-2-1-3-5-18/h1-14H,(H2,24,25,28)/b23-14+