3-[[(2S)-butan-2-yl]carbamothioyl-[(6-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]amino]propyl-diethyl-azanium

Systemtic Name: 3-[[(2S)-butan-2-yl]carbamothioyl-[(6-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]amino]propyl-diethyl-azanium Openeye Name: diethyl-[3-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl-[[(1S)-1-methylpropyl]carbamothioyl]amino]propyl]ammonium CAS Name: 3-[[[[(2S)-butan-2-yl]amino]-sulfanylidenemethyl]-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]amino]propyl-diethylammonium IUPAC Name: 3-[[(2S)-butan-2-yl]carbamothioyl-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]amino]propyl-diethylazanium Traditional Name: diethyl-[3-[(2-keto-6-methyl-1H-quinolin-3-yl)methyl-[[(1S)-1-methylpropyl]thiocarbamoyl]amino]propyl]ammonium Formula: C23H37N4OS+ MolecularWeight: 417.63108

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H36N4OS/c1-6-18(5)24-23(29)27(13-9-12-26(7-2)8-3)16-20-15-19-14-17(4)10-11-21(19)25-22(20)28/h10-11,14-15,18H,6-9,12-13,16H2,1-5H3,(H,24,29)(H,25,28)/p+1/t18-/m0/s1