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

Systemtic Name: 2-[(4-fluorophenyl)carbamothioyl-[(7-methoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]amino]ethyl-dimethyl-azanium Openeye Name: 2-[(4-fluorophenyl)carbamothioyl-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[(4-fluoroanilino)-sulfanylidenemethyl]-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[(4-fluorophenyl)carbamothioyl-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]amino]ethyl-dimethylazanium Traditional Name: 2-[(4-fluorophenyl)thiocarbamoyl-[(2-keto-7-methoxy-1H-quinolin-3-yl)methyl]amino]ethyl-dimethyl-ammonium Formula: C22H26FN4O2S+ MolecularWeight: 429.530843

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCN(CC1=CC2=C(C=C(C=C2)OC)NC1=O)C(=S)NC3=CC=C(C=C3)F

Isomeric SMILES

C[NH+](C)CCN(CC1=CC2=C(C=C(C=C2)OC)NC1=O)C(=S)NC3=CC=C(C=C3)F

InChI

InChI=1S/C22H25FN4O2S/c1-26(2)10-11-27(22(30)24-18-7-5-17(23)6-8-18)14-16-12-15-4-9-19(29-3)13-20(15)25-21(16)28/h4-9,12-13H,10-11,14H2,1-3H3,(H,24,30)(H,25,28)/p+1