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

Systemtic Name: [4-[(E)-(cyclohexylcarbamothioylhydrazinylidene)methyl]phenyl] 4-methoxybenzoate Openeye Name: [4-[(E)-(cyclohexylcarbamothioylhydrazono)methyl]phenyl] 4-methoxybenzoate CAS Name: 4-methoxybenzoic acid [4-[(E)-[[(cyclohexylamino)-sulfanylidenemethyl]hydrazinylidene]methyl]phenyl] ester IUPAC Name: [4-[(E)-(cyclohexylcarbamothioylhydrazinylidene)methyl]phenyl] 4-methoxybenzoate Traditional Name: 4-methoxybenzoic acid [4-[(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=C(C=C2)C=NNC(=S)NC3CCCCC3

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O3S/c1-27-19-13-9-17(10-14-19)21(26)28-20-11-7-16(8-12-20)15-23-25-22(29)24-18-5-3-2-4-6-18/h7-15,18H,2-6H2,1H3,(H2,24,25,29)/b23-15+