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

Systemtic Name: [4-[(E)-(cyclohexylcarbamothioylhydrazinylidene)methyl]phenyl] 3,4-dimethoxybenzoate Openeye Name: [4-[(E)-(cyclohexylcarbamothioylhydrazono)methyl]phenyl] 3,4-dimethoxybenzoate CAS Name: 3,4-dimethoxybenzoic acid [4-[(E)-[[(cyclohexylamino)-sulfanylidenemethyl]hydrazinylidene]methyl]phenyl] ester IUPAC Name: [4-[(E)-(cyclohexylcarbamothioylhydrazinylidene)methyl]phenyl] 3,4-dimethoxybenzoate Traditional Name: 3,4-dimethoxybenzoic acid [4-[(E)-(cyclohexylthiocarbamoylhydrazono)methyl]phenyl] ester Formula: C23H27N3O4S MolecularWeight: 441.54318

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27N3O4S/c1-28-20-13-10-17(14-21(20)29-2)22(27)30-19-11-8-16(9-12-19)15-24-26-23(31)25-18-6-4-3-5-7-18/h8-15,18H,3-7H2,1-2H3,(H2,25,26,31)/b24-15+