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

Systemtic Name: 3-[(3-chlorophenyl)carbamothioyl-[(7-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]amino]propyl-dimethyl-azanium Openeye Name: 3-[(3-chlorophenyl)carbamothioyl-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[(3-chloroanilino)-sulfanylidenemethyl]-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]amino]propyl-dimethylammonium IUPAC Name: 3-[(3-chlorophenyl)carbamothioyl-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]amino]propyl-dimethylazanium Traditional Name: 3-[(3-chlorophenyl)thiocarbamoyl-[(2-keto-7-methyl-1H-quinolin-3-yl)methyl]amino]propyl-dimethyl-ammonium Formula: C23H28ClN4OS+ MolecularWeight: 444.01262

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C=C(C(=O)N2)CN(CCC[NH+](C)C)C(=S)NC3=CC(=CC=C3)Cl

Isomeric SMILES

CC1=CC2=C(C=C1)C=C(C(=O)N2)CN(CCC[NH+](C)C)C(=S)NC3=CC(=CC=C3)Cl

InChI

InChI=1S/C23H27ClN4OS/c1-16-8-9-17-13-18(22(29)26-21(17)12-16)15-28(11-5-10-27(2)3)23(30)25-20-7-4-6-19(24)14-20/h4,6-9,12-14H,5,10-11,15H2,1-3H3,(H,25,30)(H,26,29)/p+1