2-[(4-fluorophenyl)carbamothioyl-[(8-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[(4-fluorophenyl)carbamothioyl-[(8-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]amino]ethyl-dimethyl-azanium Openeye Name: 2-[(4-fluorophenyl)carbamothioyl-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[(4-fluoroanilino)-sulfanylidenemethyl]-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[(4-fluorophenyl)carbamothioyl-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]amino]ethyl-dimethylazanium Traditional Name: 2-[(4-fluorophenyl)thiocarbamoyl-[(2-keto-8-methyl-1H-quinolin-3-yl)methyl]amino]ethyl-dimethyl-ammonium Formula: C22H26FN4OS+ MolecularWeight: 413.531443

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1NC(=O)C(=C2)CN(CC[NH+](C)C)C(=S)NC3=CC=C(C=C3)F

Isomeric SMILES

CC1=CC=CC2=C1NC(=O)C(=C2)CN(CC[NH+](C)C)C(=S)NC3=CC=C(C=C3)F

InChI

InChI=1S/C22H25FN4OS/c1-15-5-4-6-16-13-17(21(28)25-20(15)16)14-27(12-11-26(2)3)22(29)24-19-9-7-18(23)8-10-19/h4-10,13H,11-12,14H2,1-3H3,(H,24,29)(H,25,28)/p+1