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

Systemtic Name: 2-[(3-chlorophenyl)carbamothioyl-[(6-ethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]amino]ethyl-dimethyl-azanium Openeye Name: 2-[(3-chlorophenyl)carbamothioyl-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[(3-chloroanilino)-sulfanylidenemethyl]-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[(3-chlorophenyl)carbamothioyl-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]amino]ethyl-dimethylazanium Traditional Name: 2-[(3-chlorophenyl)thiocarbamoyl-[(6-ethyl-2-keto-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:

CCC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CC[NH+](C)C)C(=S)NC3=CC(=CC=C3)Cl

Isomeric SMILES

CCC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CC[NH+](C)C)C(=S)NC3=CC(=CC=C3)Cl

InChI

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