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

Systemtic Name: 2-[4-[(3-chloranyl-4-fluoranyl-phenyl)carbamothioylamino]phenyl]carbonyloxyethyl-diethyl-azanium Openeye Name: 2-[4-[(3-chloro-4-fluoro-phenyl)carbamothioylamino]benzoyl]oxyethyl-diethyl-ammonium CAS Name: 2-[[4-[[(3-chloro-4-fluoroanilino)-sulfanylidenemethyl]amino]phenyl]-oxomethoxy]ethyl-diethylammonium IUPAC Name: 2-[4-[(3-chloro-4-fluorophenyl)carbamothioylamino]benzoyl]oxyethyl-diethylazanium Traditional Name: 2-[4-[(3-chloro-4-fluoro-phenyl)thiocarbamoylamino]benzoyl]oxyethyl-diethyl-ammonium Formula: C20H24ClFN3O2S+ MolecularWeight: 424.939863

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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)F)Cl

Isomeric SMILES

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

InChI

InChI=1S/C20H23ClFN3O2S/c1-3-25(4-2)11-12-27-19(26)14-5-7-15(8-6-14)23-20(28)24-16-9-10-18(22)17(21)13-16/h5-10,13H,3-4,11-12H2,1-2H3,(H2,23,24,28)/p+1