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

Systemtic Name: 3-[[cyclohexyl-[(5,7-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]carbamothioyl]amino]propyl-dimethyl-azanium Openeye Name: 3-[[cyclohexyl-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]carbamothioyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[[cyclohexyl-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]amino]-sulfanylidenemethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[cyclohexyl-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]carbamothioyl]amino]propyl-dimethylazanium Traditional Name: 3-[[cyclohexyl-[(2-keto-5,7-dimethyl-1H-quinolin-3-yl)methyl]thiocarbamoyl]amino]propyl-dimethyl-ammonium Formula: C24H37N4OS+ MolecularWeight: 429.64178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C=C(C(=O)NC2=C1)CN(C3CCCCC3)C(=S)NCCC[NH+](C)C)C

Isomeric SMILES

CC1=CC(=C2C=C(C(=O)NC2=C1)CN(C3CCCCC3)C(=S)NCCC[NH+](C)C)C

InChI

InChI=1S/C24H36N4OS/c1-17-13-18(2)21-15-19(23(29)26-22(21)14-17)16-28(20-9-6-5-7-10-20)24(30)25-11-8-12-27(3)4/h13-15,20H,5-12,16H2,1-4H3,(H,25,30)(H,26,29)/p+1