[4-[(E)-(cyclohexylcarbamothioylhydrazinylidene)methyl]phenyl] 2-fluoranylbenzoate

Systemtic Name: [4-[(E)-(cyclohexylcarbamothioylhydrazinylidene)methyl]phenyl] 2-fluoranylbenzoate Openeye Name: [4-[(E)-(cyclohexylcarbamothioylhydrazono)methyl]phenyl] 2-fluorobenzoate CAS Name: 2-fluorobenzoic acid [4-[(E)-[[(cyclohexylamino)-sulfanylidenemethyl]hydrazinylidene]methyl]phenyl] ester IUPAC Name: [4-[(E)-(cyclohexylcarbamothioylhydrazinylidene)methyl]phenyl] 2-fluorobenzoate Traditional Name: 2-fluorobenzoic acid [4-[(E)-(cyclohexylthiocarbamoylhydrazono)methyl]phenyl] ester Formula: C21H22FN3O2S MolecularWeight: 399.481683

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=S)NN=CC2=CC=C(C=C2)OC(=O)C3=CC=CC=C3F

Isomeric SMILES

C1CCC(CC1)NC(=S)N/N=C/C2=CC=C(C=C2)OC(=O)C3=CC=CC=C3F

InChI

InChI=1S/C21H22FN3O2S/c22-19-9-5-4-8-18(19)20(26)27-17-12-10-15(11-13-17)14-23-25-21(28)24-16-6-2-1-3-7-16/h4-5,8-14,16H,1-3,6-7H2,(H2,24,25,28)/b23-14+