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

Systemtic Name: 2-[[(2S)-butan-2-yl]carbamothioyl-[(6-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]amino]ethyl-dimethyl-azanium Openeye Name: dimethyl-[2-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl-[[(1S)-1-methylpropyl]carbamothioyl]amino]ethyl]ammonium CAS Name: 2-[[[[(2S)-butan-2-yl]amino]-sulfanylidenemethyl]-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[(2S)-butan-2-yl]carbamothioyl-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]amino]ethyl-dimethylazanium Traditional Name: 2-[(2-keto-6-methyl-1H-quinolin-3-yl)methyl-[[(1S)-1-methylpropyl]thiocarbamoyl]amino]ethyl-dimethyl-ammonium Formula: C20H31N4OS+ MolecularWeight: 375.55134

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H30N4OS/c1-6-15(3)21-20(26)24(10-9-23(4)5)13-17-12-16-11-14(2)7-8-18(16)22-19(17)25/h7-8,11-12,15H,6,9-10,13H2,1-5H3,(H,21,26)(H,22,25)/p+1/t15-/m0/s1