[4-[(E)-(cyclohexylcarbamothioylhydrazinylidene)methyl]-2-methoxy-phenyl] benzoate

Systemtic Name: [4-[(E)-(cyclohexylcarbamothioylhydrazinylidene)methyl]-2-methoxy-phenyl] benzoate Openeye Name: [4-[(E)-(cyclohexylcarbamothioylhydrazono)methyl]-2-methoxy-phenyl] benzoate CAS Name: benzoic acid [4-[(E)-[[(cyclohexylamino)-sulfanylidenemethyl]hydrazinylidene]methyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-(cyclohexylcarbamothioylhydrazinylidene)methyl]-2-methoxyphenyl] benzoate Traditional Name: benzoic acid [4-[(E)-(cyclohexylthiocarbamoylhydrazono)methyl]-2-methoxy-phenyl] ester Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=NNC(=S)NC2CCCCC2)OC(=O)C3=CC=CC=C3

Isomeric SMILES

COC1=C(C=CC(=C1)/C=N/NC(=S)NC2CCCCC2)OC(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H25N3O3S/c1-27-20-14-16(15-23-25-22(29)24-18-10-6-3-7-11-18)12-13-19(20)28-21(26)17-8-4-2-5-9-17/h2,4-5,8-9,12-15,18H,3,6-7,10-11H2,1H3,(H2,24,25,29)/b23-15+