[2-methoxy-4-[(Z)-(2-morpholin-4-ium-4-ylethylcarbamothioylhydrazinylidene)methyl]phenyl] 2-fluoranylbenzoate

Systemtic Name: [2-methoxy-4-[(Z)-(2-morpholin-4-ium-4-ylethylcarbamothioylhydrazinylidene)methyl]phenyl] 2-fluoranylbenzoate Openeye Name: [2-methoxy-4-[(Z)-(2-morpholin-4-ium-4-ylethylcarbamothioylhydrazono)methyl]phenyl] 2-fluorobenzoate CAS Name: 2-fluorobenzoic acid [2-methoxy-4-[(Z)-[[[2-(4-morpholin-4-iumyl)ethylamino]-sulfanylidenemethyl]hydrazinylidene]methyl]phenyl] ester IUPAC Name: [2-methoxy-4-[(Z)-(2-morpholin-4-ium-4-ylethylcarbamothioylhydrazinylidene)methyl]phenyl] 2-fluorobenzoate Traditional Name: 2-fluorobenzoic acid [2-methoxy-4-[(Z)-(2-morpholin-4-ium-4-ylethylthiocarbamoylhydrazono)methyl]phenyl] ester Formula: C22H26FN4O4S+ MolecularWeight: 461.529643

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=NNC(=S)NCC[NH+]2CCOCC2)OC(=O)C3=CC=CC=C3F

Isomeric SMILES

COC1=C(C=CC(=C1)/C=N\NC(=S)NCC[NH+]2CCOCC2)OC(=O)C3=CC=CC=C3F

InChI

InChI=1S/C22H25FN4O4S/c1-29-20-14-16(6-7-19(20)31-21(28)17-4-2-3-5-18(17)23)15-25-26-22(32)24-8-9-27-10-12-30-13-11-27/h2-7,14-15H,8-13H2,1H3,(H2,24,26,32)/p+1/b25-15-