[4-[(E)-(phenylcarbamothioylhydrazinylidene)methyl]-3-(phenylcarbonyloxy)phenyl] benzoate

Systemtic Name: [4-[(E)-(phenylcarbamothioylhydrazinylidene)methyl]-3-(phenylcarbonyloxy)phenyl] benzoate Openeye Name: [3-benzoyloxy-4-[(E)-(phenylcarbamothioylhydrazono)methyl]phenyl] benzoate CAS Name: benzoic acid [4-[(E)-[[anilino(sulfanylidene)methyl]hydrazinylidene]methyl]-3-benzoyloxyphenyl] ester IUPAC Name: [3-benzoyloxy-4-[(E)-(phenylcarbamothioylhydrazinylidene)methyl]phenyl] benzoate Traditional Name: benzoic acid [3-benzoyloxy-4-[(E)-(phenylthiocarbamoylhydrazono)methyl]phenyl] ester Formula: C28H21N3O4S MolecularWeight: 495.54904

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OC2=CC(=C(C=C2)C=NNC(=S)NC3=CC=CC=C3)OC(=O)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OC2=CC(=C(C=C2)/C=N/NC(=S)NC3=CC=CC=C3)OC(=O)C4=CC=CC=C4

InChI

InChI=1S/C28H21N3O4S/c32-26(20-10-4-1-5-11-20)34-24-17-16-22(19-29-31-28(36)30-23-14-8-3-9-15-23)25(18-24)35-27(33)21-12-6-2-7-13-21/h1-19H,(H2,30,31,36)/b29-19+