3-[[cyclohexyl-[(8-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]carbamothioyl]amino]propyl-dimethyl-azanium

Systemtic Name: 3-[[cyclohexyl-[(8-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]carbamothioyl]amino]propyl-dimethyl-azanium Openeye Name: 3-[[cyclohexyl-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]carbamothioyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[[cyclohexyl-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]amino]-sulfanylidenemethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[cyclohexyl-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]carbamothioyl]amino]propyl-dimethylazanium Traditional Name: 3-[[cyclohexyl-[(2-keto-8-methyl-1H-quinolin-3-yl)methyl]thiocarbamoyl]amino]propyl-dimethyl-ammonium Formula: C23H35N4OS+ MolecularWeight: 415.6152

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1NC(=O)C(=C2)CN(C3CCCCC3)C(=S)NCCC[NH+](C)C

Isomeric SMILES

CC1=CC=CC2=C1NC(=O)C(=C2)CN(C3CCCCC3)C(=S)NCCC[NH+](C)C

InChI

InChI=1S/C23H34N4OS/c1-17-9-7-10-18-15-19(22(28)25-21(17)18)16-27(20-11-5-4-6-12-20)23(29)24-13-8-14-26(2)3/h7,9-10,15,20H,4-6,8,11-14,16H2,1-3H3,(H,24,29)(H,25,28)/p+1