diethyl-[2-[4-[(4-fluorophenyl)methylcarbamothioylamino]phenyl]carbonyloxyethyl]azanium

Systemtic Name: diethyl-[2-[4-[(4-fluorophenyl)methylcarbamothioylamino]phenyl]carbonyloxyethyl]azanium Openeye Name: diethyl-[2-[4-[(4-fluorophenyl)methylcarbamothioylamino]benzoyl]oxyethyl]ammonium CAS Name: diethyl-[2-[[4-[[[(4-fluorophenyl)methylamino]-sulfanylidenemethyl]amino]phenyl]-oxomethoxy]ethyl]ammonium IUPAC Name: diethyl-[2-[4-[(4-fluorophenyl)methylcarbamothioylamino]benzoyl]oxyethyl]azanium Traditional Name: diethyl-[2-[4-[(4-fluorobenzyl)thiocarbamoylamino]benzoyl]oxyethyl]ammonium Formula: C21H27FN3O2S+ MolecularWeight: 404.521383

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCOC(=O)C1=CC=C(C=C1)NC(=S)NCC2=CC=C(C=C2)F

Isomeric SMILES

CC[NH+](CC)CCOC(=O)C1=CC=C(C=C1)NC(=S)NCC2=CC=C(C=C2)F

InChI

InChI=1S/C21H26FN3O2S/c1-3-25(4-2)13-14-27-20(26)17-7-11-19(12-8-17)24-21(28)23-15-16-5-9-18(22)10-6-16/h5-12H,3-4,13-15H2,1-2H3,(H2,23,24,28)/p+1