2-[[(2S)-butan-2-yl]carbamothioyl-[(8-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]amino]ethyl-diethyl-azanium

Systemtic Name: 2-[[(2S)-butan-2-yl]carbamothioyl-[(8-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]amino]ethyl-diethyl-azanium Openeye Name: diethyl-[2-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl-[[(1S)-1-methylpropyl]carbamothioyl]amino]ethyl]ammonium CAS Name: 2-[[[[(2S)-butan-2-yl]amino]-sulfanylidenemethyl]-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]amino]ethyl-diethylammonium IUPAC Name: 2-[[(2S)-butan-2-yl]carbamothioyl-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]amino]ethyl-diethylazanium Traditional Name: diethyl-[2-[(2-keto-8-methyl-1H-quinolin-3-yl)methyl-[[(1S)-1-methylpropyl]thiocarbamoyl]amino]ethyl]ammonium Formula: C22H35N4OS+ MolecularWeight: 403.6045

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H34N4OS/c1-6-17(5)23-22(28)26(13-12-25(7-2)8-3)15-19-14-18-11-9-10-16(4)20(18)24-21(19)27/h9-11,14,17H,6-8,12-13,15H2,1-5H3,(H,23,28)(H,24,27)/p+1/t17-/m0/s1