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

Systemtic Name: 3-[(5,7-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-(2-methylpropylcarbamothioyl)amino]propyl-diethyl-azanium Openeye Name: 3-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-(isobutylcarbamothioyl)amino]propyl-diethyl-ammonium CAS Name: 3-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-[(2-methylpropylamino)-sulfanylidenemethyl]amino]propyl-diethylammonium IUPAC Name: 3-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-(2-methylpropylcarbamothioyl)amino]propyl-diethylazanium Traditional Name: diethyl-[3-[isobutylthiocarbamoyl-[(2-keto-5,7-dimethyl-1H-quinolin-3-yl)methyl]amino]propyl]ammonium Formula: C24H39N4OS+ MolecularWeight: 431.65766

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCCN(CC1=CC2=C(C=C(C=C2NC1=O)C)C)C(=S)NCC(C)C

Isomeric SMILES

CC[NH+](CC)CCCN(CC1=CC2=C(C=C(C=C2NC1=O)C)C)C(=S)NCC(C)C

InChI

InChI=1S/C24H38N4OS/c1-7-27(8-2)10-9-11-28(24(30)25-15-17(3)4)16-20-14-21-19(6)12-18(5)13-22(21)26-23(20)29/h12-14,17H,7-11,15-16H2,1-6H3,(H,25,30)(H,26,29)/p+1