2-[(7,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-[(4-fluorophenyl)carbamothioyl]amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[(7,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-[(4-fluorophenyl)carbamothioyl]amino]ethyl-dimethyl-azanium Openeye Name: 2-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-[(4-fluorophenyl)carbamothioyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-[(4-fluoroanilino)-sulfanylidenemethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-[(4-fluorophenyl)carbamothioyl]amino]ethyl-dimethylazanium Traditional Name: 2-[(4-fluorophenyl)thiocarbamoyl-[(2-keto-7,8-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=C(C2=C(C=C1)C=C(C(=O)N2)CN(CC[NH+](C)C)C(=S)NC3=CC=C(C=C3)F)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C=C(C(=O)N2)CN(CC[NH+](C)C)C(=S)NC3=CC=C(C=C3)F)C

InChI

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