[4-[(E)-(cyclohexylcarbamothioylhydrazinylidene)methyl]-2-methoxy-phenyl] 3-bromanylbenzoate

Systemtic Name: [4-[(E)-(cyclohexylcarbamothioylhydrazinylidene)methyl]-2-methoxy-phenyl] 3-bromanylbenzoate Openeye Name: [4-[(E)-(cyclohexylcarbamothioylhydrazono)methyl]-2-methoxy-phenyl] 3-bromobenzoate CAS Name: 3-bromobenzoic acid [4-[(E)-[[(cyclohexylamino)-sulfanylidenemethyl]hydrazinylidene]methyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-(cyclohexylcarbamothioylhydrazinylidene)methyl]-2-methoxyphenyl] 3-bromobenzoate Traditional Name: 3-bromobenzoic acid [4-[(E)-(cyclohexylthiocarbamoylhydrazono)methyl]-2-methoxy-phenyl] ester Formula: C22H24BrN3O3S MolecularWeight: 490.41326

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24BrN3O3S/c1-28-20-12-15(14-24-26-22(30)25-18-8-3-2-4-9-18)10-11-19(20)29-21(27)16-6-5-7-17(23)13-16/h5-7,10-14,18H,2-4,8-9H2,1H3,(H2,25,26,30)/b24-14+