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

Systemtic Name: 2-[(7,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-(methylcarbamothioyl)amino]ethyl-diethyl-azanium Openeye Name: 2-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-(methylcarbamothioyl)amino]ethyl-diethyl-ammonium CAS Name: 2-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-[methylamino(sulfanylidene)methyl]amino]ethyl-diethylammonium IUPAC Name: 2-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-(methylcarbamothioyl)amino]ethyl-diethylazanium Traditional Name: diethyl-[2-[(2-keto-7,8-dimethyl-1H-quinolin-3-yl)methyl-(methylthiocarbamoyl)amino]ethyl]ammonium Formula: C20H31N4OS+ MolecularWeight: 375.55134

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCN(CC1=CC2=C(C(=C(C=C2)C)C)NC1=O)C(=S)NC

Isomeric SMILES

CC[NH+](CC)CCN(CC1=CC2=C(C(=C(C=C2)C)C)NC1=O)C(=S)NC

InChI

InChI=1S/C20H30N4OS/c1-6-23(7-2)10-11-24(20(26)21-5)13-17-12-16-9-8-14(3)15(4)18(16)22-19(17)25/h8-9,12H,6-7,10-11,13H2,1-5H3,(H,21,26)(H,22,25)/p+1