2-[(3-chlorophenyl)carbamothioyl-[(5,7-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[(3-chlorophenyl)carbamothioyl-[(5,7-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]amino]ethyl-dimethyl-azanium Openeye Name: 2-[(3-chlorophenyl)carbamothioyl-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[(3-chloroanilino)-sulfanylidenemethyl]-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[(3-chlorophenyl)carbamothioyl-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]amino]ethyl-dimethylazanium Traditional Name: 2-[(3-chlorophenyl)thiocarbamoyl-[(2-keto-5,7-dimethyl-1H-quinolin-3-yl)methyl]amino]ethyl-dimethyl-ammonium Formula: C23H28ClN4OS+ MolecularWeight: 444.01262

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C=C(C(=O)NC2=C1)CN(CC[NH+](C)C)C(=S)NC3=CC(=CC=C3)Cl)C

Isomeric SMILES

CC1=CC(=C2C=C(C(=O)NC2=C1)CN(CC[NH+](C)C)C(=S)NC3=CC(=CC=C3)Cl)C

InChI

InChI=1S/C23H27ClN4OS/c1-15-10-16(2)20-12-17(22(29)26-21(20)11-15)14-28(9-8-27(3)4)23(30)25-19-7-5-6-18(24)13-19/h5-7,10-13H,8-9,14H2,1-4H3,(H,25,30)(H,26,29)/p+1