[4-bromanyl-2-[(E)-[(4-fluorophenyl)carbamothioylhydrazinylidene]methyl]phenyl] 4-methoxybenzoate

Systemtic Name: [4-bromanyl-2-[(E)-[(4-fluorophenyl)carbamothioylhydrazinylidene]methyl]phenyl] 4-methoxybenzoate Openeye Name: [4-bromo-2-[(E)-[(4-fluorophenyl)carbamothioylhydrazono]methyl]phenyl] 4-methoxybenzoate CAS Name: 4-methoxybenzoic acid [4-bromo-2-[(E)-[[(4-fluoroanilino)-sulfanylidenemethyl]hydrazinylidene]methyl]phenyl] ester IUPAC Name: [4-bromo-2-[(E)-[(4-fluorophenyl)carbamothioylhydrazinylidene]methyl]phenyl] 4-methoxybenzoate Traditional Name: 4-methoxybenzoic acid [4-bromo-2-[(E)-[(4-fluorophenyl)thiocarbamoylhydrazono]methyl]phenyl] ester Formula: C22H17BrFN3O3S MolecularWeight: 502.356083

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H17BrFN3O3S/c1-29-19-9-2-14(3-10-19)21(28)30-20-11-4-16(23)12-15(20)13-25-27-22(31)26-18-7-5-17(24)6-8-18/h2-13H,1H3,(H2,26,27,31)/b25-13+