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

Systemtic Name: 2-[(3-chlorophenyl)carbamothioyl-[(7-methoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]amino]ethyl-dimethyl-azanium Openeye Name: 2-[(3-chlorophenyl)carbamothioyl-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[(3-chloroanilino)-sulfanylidenemethyl]-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[(3-chlorophenyl)carbamothioyl-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]amino]ethyl-dimethylazanium Traditional Name: 2-[(3-chlorophenyl)thiocarbamoyl-[(2-keto-7-methoxy-1H-quinolin-3-yl)methyl]amino]ethyl-dimethyl-ammonium Formula: C22H26ClN4O2S+ MolecularWeight: 445.98544

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCN(CC1=CC2=C(C=C(C=C2)OC)NC1=O)C(=S)NC3=CC(=CC=C3)Cl

Isomeric SMILES

C[NH+](C)CCN(CC1=CC2=C(C=C(C=C2)OC)NC1=O)C(=S)NC3=CC(=CC=C3)Cl

InChI

InChI=1S/C22H25ClN4O2S/c1-26(2)9-10-27(22(30)24-18-6-4-5-17(23)12-18)14-16-11-15-7-8-19(29-3)13-20(15)25-21(16)28/h4-8,11-13H,9-10,14H2,1-3H3,(H,24,30)(H,25,28)/p+1