2-[[[2-(4-fluorophenyl)quinolin-4-yl]carbonylamino]carbamothioylamino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[[2-(4-fluorophenyl)quinolin-4-yl]carbonylamino]carbamothioylamino]ethyl-dimethyl-azanium Openeye Name: 2-[[[2-(4-fluorophenyl)quinoline-4-carbonyl]amino]carbamothioylamino]ethyl-dimethyl-ammonium CAS Name: 2-[[[[[2-(4-fluorophenyl)-4-quinolinyl]-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[[2-(4-fluorophenyl)quinoline-4-carbonyl]amino]carbamothioylamino]ethyl-dimethylazanium Traditional Name: 2-[[[2-(4-fluorophenyl)quinoline-4-carbonyl]amino]thiocarbamoylamino]ethyl-dimethyl-ammonium Formula: C21H23FN5OS+ MolecularWeight: 412.503623

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCNC(=S)NNC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=C(C=C3)F

Isomeric SMILES

C[NH+](C)CCNC(=S)NNC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H22FN5OS/c1-27(2)12-11-23-21(29)26-25-20(28)17-13-19(14-7-9-15(22)10-8-14)24-18-6-4-3-5-16(17)18/h3-10,13H,11-12H2,1-2H3,(H,25,28)(H2,23,26,29)/p+1