[2-methoxy-4-[(Z)-(3-morpholin-4-ylpropylcarbamothioylhydrazinylidene)methyl]phenyl] 2-fluoranylbenzoate

Systemtic Name: [2-methoxy-4-[(Z)-(3-morpholin-4-ylpropylcarbamothioylhydrazinylidene)methyl]phenyl] 2-fluoranylbenzoate Openeye Name: [2-methoxy-4-[(Z)-(3-morpholinopropylcarbamothioylhydrazono)methyl]phenyl] 2-fluorobenzoate CAS Name: 2-fluorobenzoic acid [2-methoxy-4-[(Z)-[[[3-(4-morpholinyl)propylamino]-sulfanylidenemethyl]hydrazinylidene]methyl]phenyl] ester IUPAC Name: [2-methoxy-4-[(Z)-(3-morpholin-4-ylpropylcarbamothioylhydrazinylidene)methyl]phenyl] 2-fluorobenzoate Traditional Name: 2-fluorobenzoic acid [2-methoxy-4-[(Z)-(3-morpholinopropylthiocarbamoylhydrazono)methyl]phenyl] ester Formula: C23H27FN4O4S MolecularWeight: 474.548283

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=NNC(=S)NCCCN2CCOCC2)OC(=O)C3=CC=CC=C3F

Isomeric SMILES

COC1=C(C=CC(=C1)/C=N\NC(=S)NCCCN2CCOCC2)OC(=O)C3=CC=CC=C3F

InChI

InChI=1S/C23H27FN4O4S/c1-30-21-15-17(7-8-20(21)32-22(29)18-5-2-3-6-19(18)24)16-26-27-23(33)25-9-4-10-28-11-13-31-14-12-28/h2-3,5-8,15-16H,4,9-14H2,1H3,(H2,25,27,33)/b26-16-