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

Systemtic Name: [4-[(E)-(cyclohexylcarbamothioylhydrazinylidene)methyl]-2-methoxy-phenyl] 2-chloranylbenzoate Openeye Name: [4-[(E)-(cyclohexylcarbamothioylhydrazono)methyl]-2-methoxy-phenyl] 2-chlorobenzoate CAS Name: 2-chlorobenzoic acid [4-[(E)-[[(cyclohexylamino)-sulfanylidenemethyl]hydrazinylidene]methyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-(cyclohexylcarbamothioylhydrazinylidene)methyl]-2-methoxyphenyl] 2-chlorobenzoate Traditional Name: 2-chlorobenzoic acid [4-[(E)-(cyclohexylthiocarbamoylhydrazono)methyl]-2-methoxy-phenyl] ester Formula: C22H24ClN3O3S MolecularWeight: 445.96226

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=NNC(=S)NC2CCCCC2)OC(=O)C3=CC=CC=C3Cl

Isomeric SMILES

COC1=C(C=CC(=C1)/C=N/NC(=S)NC2CCCCC2)OC(=O)C3=CC=CC=C3Cl

InChI

InChI=1S/C22H24ClN3O3S/c1-28-20-13-15(14-24-26-22(30)25-16-7-3-2-4-8-16)11-12-19(20)29-21(27)17-9-5-6-10-18(17)23/h5-6,9-14,16H,2-4,7-8H2,1H3,(H2,25,26,30)/b24-14+