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

Systemtic Name: 2-[(6-ethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-(2-methylpropylcarbamothioyl)amino]ethyl-dimethyl-azanium Openeye Name: 2-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl-(isobutylcarbamothioyl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl-[(2-methylpropylamino)-sulfanylidenemethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl-(2-methylpropylcarbamothioyl)amino]ethyl-dimethylazanium Traditional Name: 2-[(6-ethyl-2-keto-1H-quinolin-3-yl)methyl-(isobutylthiocarbamoyl)amino]ethyl-dimethyl-ammonium Formula: C21H33N4OS+ MolecularWeight: 389.57792

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CC[NH+](C)C)C(=S)NCC(C)C

Isomeric SMILES

CCC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CC[NH+](C)C)C(=S)NCC(C)C

InChI

InChI=1S/C21H32N4OS/c1-6-16-7-8-19-17(11-16)12-18(20(26)23-19)14-25(10-9-24(4)5)21(27)22-13-15(2)3/h7-8,11-12,15H,6,9-10,13-14H2,1-5H3,(H,22,27)(H,23,26)/p+1