diethyl-[2-[4-[(3-fluoranyl-4-methyl-phenyl)carbamothioylamino]phenyl]carbonyloxyethyl]azanium

Systemtic Name: diethyl-[2-[4-[(3-fluoranyl-4-methyl-phenyl)carbamothioylamino]phenyl]carbonyloxyethyl]azanium Openeye Name: diethyl-[2-[4-[(3-fluoro-4-methyl-phenyl)carbamothioylamino]benzoyl]oxyethyl]ammonium CAS Name: diethyl-[2-[[4-[[(3-fluoro-4-methylanilino)-sulfanylidenemethyl]amino]phenyl]-oxomethoxy]ethyl]ammonium IUPAC Name: diethyl-[2-[4-[(3-fluoro-4-methylphenyl)carbamothioylamino]benzoyl]oxyethyl]azanium Traditional Name: diethyl-[2-[4-[(3-fluoro-4-methyl-phenyl)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)NC2=CC(=C(C=C2)C)F

Isomeric SMILES

CC[NH+](CC)CCOC(=O)C1=CC=C(C=C1)NC(=S)NC2=CC(=C(C=C2)C)F

InChI

InChI=1S/C21H26FN3O2S/c1-4-25(5-2)12-13-27-20(26)16-7-10-17(11-8-16)23-21(28)24-18-9-6-15(3)19(22)14-18/h6-11,14H,4-5,12-13H2,1-3H3,(H2,23,24,28)/p+1