3-[[(2S)-butan-2-yl]carbamothioyl-[(7-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]amino]propyl-dimethyl-azanium

Systemtic Name: 3-[[(2S)-butan-2-yl]carbamothioyl-[(7-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]amino]propyl-dimethyl-azanium Openeye Name: dimethyl-[3-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl-[[(1S)-1-methylpropyl]carbamothioyl]amino]propyl]ammonium CAS Name: 3-[[[[(2S)-butan-2-yl]amino]-sulfanylidenemethyl]-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[(2S)-butan-2-yl]carbamothioyl-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]amino]propyl-dimethylazanium Traditional Name: 3-[(2-keto-7-methyl-1H-quinolin-3-yl)methyl-[[(1S)-1-methylpropyl]thiocarbamoyl]amino]propyl-dimethyl-ammonium Formula: C21H33N4OS+ MolecularWeight: 389.57792

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H32N4OS/c1-6-16(3)22-21(27)25(11-7-10-24(4)5)14-18-13-17-9-8-15(2)12-19(17)23-20(18)26/h8-9,12-13,16H,6-7,10-11,14H2,1-5H3,(H,22,27)(H,23,26)/p+1/t16-/m0/s1