[4-[(E)-(cyclohexylcarbamothioylhydrazinylidene)methyl]phenyl] 3,4,5-trimethoxybenzoate

Systemtic Name: [4-[(E)-(cyclohexylcarbamothioylhydrazinylidene)methyl]phenyl] 3,4,5-trimethoxybenzoate Openeye Name: [4-[(E)-(cyclohexylcarbamothioylhydrazono)methyl]phenyl] 3,4,5-trimethoxybenzoate CAS Name: 3,4,5-trimethoxybenzoic acid [4-[(E)-[[(cyclohexylamino)-sulfanylidenemethyl]hydrazinylidene]methyl]phenyl] ester IUPAC Name: [4-[(E)-(cyclohexylcarbamothioylhydrazinylidene)methyl]phenyl] 3,4,5-trimethoxybenzoate Traditional Name: 3,4,5-trimethoxybenzoic acid [4-[(E)-(cyclohexylthiocarbamoylhydrazono)methyl]phenyl] ester Formula: C24H29N3O5S MolecularWeight: 471.56916

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)OC2=CC=C(C=C2)C=NNC(=S)NC3CCCCC3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)OC2=CC=C(C=C2)/C=N/NC(=S)NC3CCCCC3

InChI

InChI=1S/C24H29N3O5S/c1-29-20-13-17(14-21(30-2)22(20)31-3)23(28)32-19-11-9-16(10-12-19)15-25-27-24(33)26-18-7-5-4-6-8-18/h9-15,18H,4-8H2,1-3H3,(H2,26,27,33)/b25-15+