2-[(3-chlorophenyl)carbamothioyl-[(6,7-dimethoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[(3-chlorophenyl)carbamothioyl-[(6,7-dimethoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]amino]ethyl-dimethyl-azanium Openeye Name: 2-[(3-chlorophenyl)carbamothioyl-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[(3-chloroanilino)-sulfanylidenemethyl]-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[(3-chlorophenyl)carbamothioyl-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]amino]ethyl-dimethylazanium Traditional Name: 2-[(3-chlorophenyl)thiocarbamoyl-[(2-keto-6,7-dimethoxy-1H-quinolin-3-yl)methyl]amino]ethyl-dimethyl-ammonium Formula: C23H28ClN4O3S+ MolecularWeight: 476.01142

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCN(CC1=CC2=CC(=C(C=C2NC1=O)OC)OC)C(=S)NC3=CC(=CC=C3)Cl

Isomeric SMILES

C[NH+](C)CCN(CC1=CC2=CC(=C(C=C2NC1=O)OC)OC)C(=S)NC3=CC(=CC=C3)Cl

InChI

InChI=1S/C23H27ClN4O3S/c1-27(2)8-9-28(23(32)25-18-7-5-6-17(24)12-18)14-16-10-15-11-20(30-3)21(31-4)13-19(15)26-22(16)29/h5-7,10-13H,8-9,14H2,1-4H3,(H,25,32)(H,26,29)/p+1