3-[(6,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-[(4-fluorophenyl)carbamothioyl]amino]propyl-dimethyl-azanium

Systemtic Name: 3-[(6,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-[(4-fluorophenyl)carbamothioyl]amino]propyl-dimethyl-azanium Openeye Name: 3-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-[(4-fluorophenyl)carbamothioyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-[(4-fluoroanilino)-sulfanylidenemethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-[(4-fluorophenyl)carbamothioyl]amino]propyl-dimethylazanium Traditional Name: 3-[(4-fluorophenyl)thiocarbamoyl-[(2-keto-6,8-dimethyl-1H-quinolin-3-yl)methyl]amino]propyl-dimethyl-ammonium Formula: C24H30FN4OS+ MolecularWeight: 441.584603

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C=C(C(=O)N2)CN(CCC[NH+](C)C)C(=S)NC3=CC=C(C=C3)F)C

Isomeric SMILES

CC1=CC(=C2C(=C1)C=C(C(=O)N2)CN(CCC[NH+](C)C)C(=S)NC3=CC=C(C=C3)F)C

InChI

InChI=1S/C24H29FN4OS/c1-16-12-17(2)22-18(13-16)14-19(23(30)27-22)15-29(11-5-10-28(3)4)24(31)26-21-8-6-20(25)7-9-21/h6-9,12-14H,5,10-11,15H2,1-4H3,(H,26,31)(H,27,30)/p+1