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

Systemtic Name: 2-[(7,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-(ethylcarbamothioyl)amino]ethyl-diethyl-azanium Openeye Name: 2-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-(ethylcarbamothioyl)amino]ethyl-diethyl-ammonium CAS Name: 2-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-[ethylamino(sulfanylidene)methyl]amino]ethyl-diethylammonium IUPAC Name: 2-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-(ethylcarbamothioyl)amino]ethyl-diethylazanium Traditional Name: diethyl-[2-[ethylthiocarbamoyl-[(2-keto-7,8-dimethyl-1H-quinolin-3-yl)methyl]amino]ethyl]ammonium Formula: C21H33N4OS+ MolecularWeight: 389.57792

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H32N4OS/c1-6-22-21(27)25(12-11-24(7-2)8-3)14-18-13-17-10-9-15(4)16(5)19(17)23-20(18)26/h9-10,13H,6-8,11-12,14H2,1-5H3,(H,22,27)(H,23,26)/p+1