2-[(5,7-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-[(4-fluorophenyl)carbamothioyl]amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[(5,7-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-[(4-fluorophenyl)carbamothioyl]amino]ethyl-dimethyl-azanium Openeye Name: 2-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-[(4-fluorophenyl)carbamothioyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-[(4-fluoroanilino)-sulfanylidenemethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-[(4-fluorophenyl)carbamothioyl]amino]ethyl-dimethylazanium Traditional Name: 2-[(4-fluorophenyl)thiocarbamoyl-[(2-keto-5,7-dimethyl-1H-quinolin-3-yl)methyl]amino]ethyl-dimethyl-ammonium Formula: C23H28FN4OS+ MolecularWeight: 427.558023

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C=C(C(=O)NC2=C1)CN(CC[NH+](C)C)C(=S)NC3=CC=C(C=C3)F)C

Isomeric SMILES

CC1=CC(=C2C=C(C(=O)NC2=C1)CN(CC[NH+](C)C)C(=S)NC3=CC=C(C=C3)F)C

InChI

InChI=1S/C23H27FN4OS/c1-15-11-16(2)20-13-17(22(29)26-21(20)12-15)14-28(10-9-27(3)4)23(30)25-19-7-5-18(24)6-8-19/h5-8,11-13H,9-10,14H2,1-4H3,(H,25,30)(H,26,29)/p+1