2-[butylcarbamothioyl-[(7-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]amino]ethyl-diethyl-azanium

Systemtic Name: 2-[butylcarbamothioyl-[(7-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]amino]ethyl-diethyl-azanium Openeye Name: 2-[butylcarbamothioyl-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]amino]ethyl-diethyl-ammonium CAS Name: 2-[[butylamino(sulfanylidene)methyl]-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]amino]ethyl-diethylammonium IUPAC Name: 2-[butylcarbamothioyl-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]amino]ethyl-diethylazanium Traditional Name: 2-[butylthiocarbamoyl-[(2-keto-7-methyl-1H-quinolin-3-yl)methyl]amino]ethyl-diethyl-ammonium Formula: C22H35N4OS+ MolecularWeight: 403.6045

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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