2-[(5,7-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-[(2,4-dimethylphenyl)carbamothioyl]amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[(5,7-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-[(2,4-dimethylphenyl)carbamothioyl]amino]ethyl-dimethyl-azanium Openeye Name: 2-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-[(2,4-dimethylphenyl)carbamothioyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[(2,4-dimethylanilino)-sulfanylidenemethyl]-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-[(2,4-dimethylphenyl)carbamothioyl]amino]ethyl-dimethylazanium Traditional Name: 2-[(2,4-dimethylphenyl)thiocarbamoyl-[(2-keto-5,7-dimethyl-1H-quinolin-3-yl)methyl]amino]ethyl-dimethyl-ammonium Formula: C25H33N4OS+ MolecularWeight: 437.62072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=S)N(CC[NH+](C)C)CC2=CC3=C(C=C(C=C3NC2=O)C)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=S)N(CC[NH+](C)C)CC2=CC3=C(C=C(C=C3NC2=O)C)C)C

InChI

InChI=1S/C25H32N4OS/c1-16-7-8-22(19(4)11-16)27-25(31)29(10-9-28(5)6)15-20-14-21-18(3)12-17(2)13-23(21)26-24(20)30/h7-8,11-14H,9-10,15H2,1-6H3,(H,26,30)(H,27,31)/p+1