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

Systemtic Name: 3-[[(7,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-(2-hydroxyethyl)carbamothioyl]amino]propyl-diethyl-azanium Openeye Name: 3-[[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-(2-hydroxyethyl)carbamothioyl]amino]propyl-diethyl-ammonium CAS Name: 3-[[[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-(2-hydroxyethyl)amino]-sulfanylidenemethyl]amino]propyl-diethylammonium IUPAC Name: 3-[[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-(2-hydroxyethyl)carbamothioyl]amino]propyl-diethylazanium Traditional Name: diethyl-[3-[[2-hydroxyethyl-[(2-keto-7,8-dimethyl-1H-quinolin-3-yl)methyl]thiocarbamoyl]amino]propyl]ammonium Formula: C22H35N4O2S+ MolecularWeight: 419.6039

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H34N4O2S/c1-5-25(6-2)11-7-10-23-22(29)26(12-13-27)15-19-14-18-9-8-16(3)17(4)20(18)24-21(19)28/h8-9,14,27H,5-7,10-13,15H2,1-4H3,(H,23,29)(H,24,28)/p+1