[4-[(E)-[(4-fluorophenyl)carbamothioylhydrazinylidene]methyl]-2-methoxy-phenyl] benzoate

Systemtic Name: [4-[(E)-[(4-fluorophenyl)carbamothioylhydrazinylidene]methyl]-2-methoxy-phenyl] benzoate Openeye Name: [4-[(E)-[(4-fluorophenyl)carbamothioylhydrazono]methyl]-2-methoxy-phenyl] benzoate CAS Name: benzoic acid [4-[(E)-[[(4-fluoroanilino)-sulfanylidenemethyl]hydrazinylidene]methyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-[(4-fluorophenyl)carbamothioylhydrazinylidene]methyl]-2-methoxyphenyl] benzoate Traditional Name: benzoic acid [4-[(E)-[(4-fluorophenyl)thiocarbamoylhydrazono]methyl]-2-methoxy-phenyl] ester Formula: C22H18FN3O3S MolecularWeight: 423.460023

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=NNC(=S)NC2=CC=C(C=C2)F)OC(=O)C3=CC=CC=C3

Isomeric SMILES

COC1=C(C=CC(=C1)/C=N/NC(=S)NC2=CC=C(C=C2)F)OC(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H18FN3O3S/c1-28-20-13-15(7-12-19(20)29-21(27)16-5-3-2-4-6-16)14-24-26-22(30)25-18-10-8-17(23)9-11-18/h2-14H,1H3,(H2,25,26,30)/b24-14+