2-[butylcarbamothioyl-[(6-ethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[butylcarbamothioyl-[(6-ethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]amino]ethyl-dimethyl-azanium Openeye Name: 2-[butylcarbamothioyl-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[butylamino(sulfanylidene)methyl]-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[butylcarbamothioyl-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]amino]ethyl-dimethylazanium Traditional Name: 2-[butylthiocarbamoyl-[(6-ethyl-2-keto-1H-quinolin-3-yl)methyl]amino]ethyl-dimethyl-ammonium Formula: C21H33N4OS+ MolecularWeight: 389.57792

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H32N4OS/c1-5-7-10-22-21(27)25(12-11-24(3)4)15-18-14-17-13-16(6-2)8-9-19(17)23-20(18)26/h8-9,13-14H,5-7,10-12,15H2,1-4H3,(H,22,27)(H,23,26)/p+1