[3-[(E)-(cyclohexylcarbamothioylhydrazinylidene)methyl]phenyl] 4-methoxybenzoate

Systemtic Name: [3-[(E)-(cyclohexylcarbamothioylhydrazinylidene)methyl]phenyl] 4-methoxybenzoate Openeye Name: [3-[(E)-(cyclohexylcarbamothioylhydrazono)methyl]phenyl] 4-methoxybenzoate CAS Name: 4-methoxybenzoic acid [3-[(E)-[[(cyclohexylamino)-sulfanylidenemethyl]hydrazinylidene]methyl]phenyl] ester IUPAC Name: [3-[(E)-(cyclohexylcarbamothioylhydrazinylidene)methyl]phenyl] 4-methoxybenzoate Traditional Name: 4-methoxybenzoic acid [3-[(E)-(cyclohexylthiocarbamoylhydrazono)methyl]phenyl] ester Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)OC2=CC=CC(=C2)C=NNC(=S)NC3CCCCC3

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)OC2=CC=CC(=C2)/C=N/NC(=S)NC3CCCCC3

InChI

InChI=1S/C22H25N3O3S/c1-27-19-12-10-17(11-13-19)21(26)28-20-9-5-6-16(14-20)15-23-25-22(29)24-18-7-3-2-4-8-18/h5-6,9-15,18H,2-4,7-8H2,1H3,(H2,24,25,29)/b23-15+