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

Systemtic Name: 2-[(5,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-(propylcarbamothioyl)amino]ethyl-diethyl-azanium Openeye Name: 2-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-(propylcarbamothioyl)amino]ethyl-diethyl-ammonium CAS Name: 2-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-[propylamino(sulfanylidene)methyl]amino]ethyl-diethylammonium IUPAC Name: 2-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-(propylcarbamothioyl)amino]ethyl-diethylazanium Traditional Name: diethyl-[2-[(2-keto-5,8-dimethyl-1H-quinolin-3-yl)methyl-(propylthiocarbamoyl)amino]ethyl]ammonium Formula: C22H35N4OS+ MolecularWeight: 403.6045

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H34N4OS/c1-6-11-23-22(28)26(13-12-25(7-2)8-3)15-18-14-19-16(4)9-10-17(5)20(19)24-21(18)27/h9-10,14H,6-8,11-13,15H2,1-5H3,(H,23,28)(H,24,27)/p+1