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

Systemtic Name: 2-[[4-[(3-chloranyl-4-fluoranyl-phenyl)carbamothioylamino]phenyl]carbonylamino]ethyl-diethyl-azanium Openeye Name: 2-[[4-[(3-chloro-4-fluoro-phenyl)carbamothioylamino]benzoyl]amino]ethyl-diethyl-ammonium CAS Name: 2-[[[4-[[(3-chloro-4-fluoroanilino)-sulfanylidenemethyl]amino]phenyl]-oxomethyl]amino]ethyl-diethylammonium IUPAC Name: 2-[[4-[(3-chloro-4-fluorophenyl)carbamothioylamino]benzoyl]amino]ethyl-diethylazanium Traditional Name: 2-[[4-[(3-chloro-4-fluoro-phenyl)thiocarbamoylamino]benzoyl]amino]ethyl-diethyl-ammonium Formula: C20H25ClFN4OS+ MolecularWeight: 423.955103

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24ClFN4OS/c1-3-26(4-2)12-11-23-19(27)14-5-7-15(8-6-14)24-20(28)25-16-9-10-18(22)17(21)13-16/h5-10,13H,3-4,11-12H2,1-2H3,(H,23,27)(H2,24,25,28)/p+1