2-[(6-ethoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl-[(4-fluorophenyl)carbamothioyl]amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[(6-ethoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl-[(4-fluorophenyl)carbamothioyl]amino]ethyl-dimethyl-azanium Openeye Name: 2-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl-[(4-fluorophenyl)carbamothioyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl-[(4-fluoroanilino)-sulfanylidenemethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl-[(4-fluorophenyl)carbamothioyl]amino]ethyl-dimethylazanium Traditional Name: 2-[(6-ethoxy-2-keto-1H-quinolin-3-yl)methyl-[(4-fluorophenyl)thiocarbamoyl]amino]ethyl-dimethyl-ammonium Formula: C23H28FN4O2S+ MolecularWeight: 443.557423

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CC[NH+](C)C)C(=S)NC3=CC=C(C=C3)F

Isomeric SMILES

CCOC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CC[NH+](C)C)C(=S)NC3=CC=C(C=C3)F

InChI

InChI=1S/C23H27FN4O2S/c1-4-30-20-9-10-21-16(14-20)13-17(22(29)26-21)15-28(12-11-27(2)3)23(31)25-19-7-5-18(24)6-8-19/h5-10,13-14H,4,11-12,15H2,1-3H3,(H,25,31)(H,26,29)/p+1