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

Systemtic Name: [2-methoxy-4-[(Z)-(3-morpholin-4-ylpropylcarbamothioylhydrazinylidene)methyl]phenyl] 4-fluoranylbenzoate Openeye Name: [2-methoxy-4-[(Z)-(3-morpholinopropylcarbamothioylhydrazono)methyl]phenyl] 4-fluorobenzoate CAS Name: 4-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] 4-fluorobenzoate Traditional Name: 4-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=C(C=C3)F

Isomeric SMILES

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

InChI

InChI=1S/C23H27FN4O4S/c1-30-21-15-17(3-8-20(21)32-22(29)18-4-6-19(24)7-5-18)16-26-27-23(33)25-9-2-10-28-11-13-31-14-12-28/h3-8,15-16H,2,9-14H2,1H3,(H2,25,27,33)/b26-16-