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

Systemtic Name: [4-[(E)-(cyclohexylcarbamothioylhydrazinylidene)methyl]-3-(phenylcarbonyloxy)phenyl] benzoate Openeye Name: [3-benzoyloxy-4-[(E)-(cyclohexylcarbamothioylhydrazono)methyl]phenyl] benzoate CAS Name: benzoic acid [3-benzoyloxy-4-[(E)-[[(cyclohexylamino)-sulfanylidenemethyl]hydrazinylidene]methyl]phenyl] ester IUPAC Name: [3-benzoyloxy-4-[(E)-(cyclohexylcarbamothioylhydrazinylidene)methyl]phenyl] benzoate Traditional Name: benzoic acid [3-benzoyloxy-4-[(E)-(cyclohexylthiocarbamoylhydrazono)methyl]phenyl] ester Formula: C28H27N3O4S MolecularWeight: 501.59668

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=S)NN=CC2=C(C=C(C=C2)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)NC(=S)N/N=C/C2=C(C=C(C=C2)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4

InChI

InChI=1S/C28H27N3O4S/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/h1-2,4-7,10-13,16-19,23H,3,8-9,14-15H2,(H2,30,31,36)/b29-19+