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

Systemtic Name: [4-bromanyl-2-[(E)-(phenylcarbamothioylhydrazinylidene)methyl]phenyl] benzoate Openeye Name: [4-bromo-2-[(E)-(phenylcarbamothioylhydrazono)methyl]phenyl] benzoate CAS Name: benzoic acid [2-[(E)-[[anilino(sulfanylidene)methyl]hydrazinylidene]methyl]-4-bromophenyl] ester IUPAC Name: [4-bromo-2-[(E)-(phenylcarbamothioylhydrazinylidene)methyl]phenyl] benzoate Traditional Name: benzoic acid [4-bromo-2-[(E)-(phenylthiocarbamoylhydrazono)methyl]phenyl] ester Formula: C21H16BrN3O2S MolecularWeight: 454.33964

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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