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

Systemtic Name: 2-[(3-chlorophenyl)carbamothioyl-[(8-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]amino]ethyl-dimethyl-azanium Openeye Name: 2-[(3-chlorophenyl)carbamothioyl-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[(3-chloroanilino)-sulfanylidenemethyl]-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[(3-chlorophenyl)carbamothioyl-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]amino]ethyl-dimethylazanium Traditional Name: 2-[(3-chlorophenyl)thiocarbamoyl-[(2-keto-8-methyl-1H-quinolin-3-yl)methyl]amino]ethyl-dimethyl-ammonium Formula: C22H26ClN4OS+ MolecularWeight: 429.98604

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1NC(=O)C(=C2)CN(CC[NH+](C)C)C(=S)NC3=CC(=CC=C3)Cl

Isomeric SMILES

CC1=CC=CC2=C1NC(=O)C(=C2)CN(CC[NH+](C)C)C(=S)NC3=CC(=CC=C3)Cl

InChI

InChI=1S/C22H25ClN4OS/c1-15-6-4-7-16-12-17(21(28)25-20(15)16)14-27(11-10-26(2)3)22(29)24-19-9-5-8-18(23)13-19/h4-9,12-13H,10-11,14H2,1-3H3,(H,24,29)(H,25,28)/p+1