[4-[(Z)-(butylcarbamothioylhydrazinylidene)methyl]-2-methoxy-phenyl] 2-fluoranylbenzoate

Systemtic Name: [4-[(Z)-(butylcarbamothioylhydrazinylidene)methyl]-2-methoxy-phenyl] 2-fluoranylbenzoate Openeye Name: [4-[(Z)-(butylcarbamothioylhydrazono)methyl]-2-methoxy-phenyl] 2-fluorobenzoate CAS Name: 2-fluorobenzoic acid [4-[(Z)-[[butylamino(sulfanylidene)methyl]hydrazinylidene]methyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(Z)-(butylcarbamothioylhydrazinylidene)methyl]-2-methoxyphenyl] 2-fluorobenzoate Traditional Name: 2-fluorobenzoic acid [4-[(Z)-(butylthiocarbamoylhydrazono)methyl]-2-methoxy-phenyl] ester Formula: C20H22FN3O3S MolecularWeight: 403.470383

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)NN=CC1=CC(=C(C=C1)OC(=O)C2=CC=CC=C2F)OC

Isomeric SMILES

CCCCNC(=S)N/N=C\C1=CC(=C(C=C1)OC(=O)C2=CC=CC=C2F)OC

InChI

InChI=1S/C20H22FN3O3S/c1-3-4-11-22-20(28)24-23-13-14-9-10-17(18(12-14)26-2)27-19(25)15-7-5-6-8-16(15)21/h5-10,12-13H,3-4,11H2,1-2H3,(H2,22,24,28)/b23-13-