2-[(5,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-(ethylcarbamothioyl)amino]ethyl-diethyl-azanium

Systemtic Name: 2-[(5,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-(ethylcarbamothioyl)amino]ethyl-diethyl-azanium Openeye Name: 2-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-(ethylcarbamothioyl)amino]ethyl-diethyl-ammonium CAS Name: 2-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-[ethylamino(sulfanylidene)methyl]amino]ethyl-diethylammonium IUPAC Name: 2-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-(ethylcarbamothioyl)amino]ethyl-diethylazanium Traditional Name: diethyl-[2-[ethylthiocarbamoyl-[(2-keto-5,8-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=CC(=C2NC1=O)C)C

Isomeric SMILES

CCNC(=S)N(CC[NH+](CC)CC)CC1=CC2=C(C=CC(=C2NC1=O)C)C

InChI

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