3-[[(7,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-(3-oxidanylpropyl)carbamothioyl]amino]propyl-diethyl-azanium

Systemtic Name: 3-[[(7,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-(3-oxidanylpropyl)carbamothioyl]amino]propyl-diethyl-azanium Openeye Name: 3-[[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-(3-hydroxypropyl)carbamothioyl]amino]propyl-diethyl-ammonium CAS Name: 3-[[[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-(3-hydroxypropyl)amino]-sulfanylidenemethyl]amino]propyl-diethylammonium IUPAC Name: 3-[[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-(3-hydroxypropyl)carbamothioyl]amino]propyl-diethylazanium Traditional Name: diethyl-[3-[[3-hydroxypropyl-[(2-keto-7,8-dimethyl-1H-quinolin-3-yl)methyl]thiocarbamoyl]amino]propyl]ammonium Formula: C23H37N4O2S+ MolecularWeight: 433.63048

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCCNC(=S)N(CCCO)CC1=CC2=C(C(=C(C=C2)C)C)NC1=O

Isomeric SMILES

CC[NH+](CC)CCCNC(=S)N(CCCO)CC1=CC2=C(C(=C(C=C2)C)C)NC1=O

InChI

InChI=1S/C23H36N4O2S/c1-5-26(6-2)12-7-11-24-23(30)27(13-8-14-28)16-20-15-19-10-9-17(3)18(4)21(19)25-22(20)29/h9-10,15,28H,5-8,11-14,16H2,1-4H3,(H,24,30)(H,25,29)/p+1