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

Systemtic Name: 2-[(3-chlorophenyl)carbamothioyl-[(6-ethoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]amino]ethyl-dimethyl-azanium Openeye Name: 2-[(3-chlorophenyl)carbamothioyl-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[(3-chloroanilino)-sulfanylidenemethyl]-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[(3-chlorophenyl)carbamothioyl-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]amino]ethyl-dimethylazanium Traditional Name: 2-[(3-chlorophenyl)thiocarbamoyl-[(6-ethoxy-2-keto-1H-quinolin-3-yl)methyl]amino]ethyl-dimethyl-ammonium Formula: C23H28ClN4O2S+ MolecularWeight: 460.01202

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CC[NH+](C)C)C(=S)NC3=CC(=CC=C3)Cl

Isomeric SMILES

CCOC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CC[NH+](C)C)C(=S)NC3=CC(=CC=C3)Cl

InChI

InChI=1S/C23H27ClN4O2S/c1-4-30-20-8-9-21-16(13-20)12-17(22(29)26-21)15-28(11-10-27(2)3)23(31)25-19-7-5-6-18(24)14-19/h5-9,12-14H,4,10-11,15H2,1-3H3,(H,25,31)(H,26,29)/p+1