[3-[(E)-[(4-fluorophenyl)carbamothioylhydrazinylidene]methyl]phenyl] 4-methoxybenzoate

Systemtic Name: [3-[(E)-[(4-fluorophenyl)carbamothioylhydrazinylidene]methyl]phenyl] 4-methoxybenzoate Openeye Name: [3-[(E)-[(4-fluorophenyl)carbamothioylhydrazono]methyl]phenyl] 4-methoxybenzoate CAS Name: 4-methoxybenzoic acid [3-[(E)-[[(4-fluoroanilino)-sulfanylidenemethyl]hydrazinylidene]methyl]phenyl] ester IUPAC Name: [3-[(E)-[(4-fluorophenyl)carbamothioylhydrazinylidene]methyl]phenyl] 4-methoxybenzoate Traditional Name: 4-methoxybenzoic acid [3-[(E)-[(4-fluorophenyl)thiocarbamoylhydrazono]methyl]phenyl] ester Formula: C22H18FN3O3S MolecularWeight: 423.460023

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)OC2=CC=CC(=C2)C=NNC(=S)NC3=CC=C(C=C3)F

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)OC2=CC=CC(=C2)/C=N/NC(=S)NC3=CC=C(C=C3)F

InChI

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