[3-[[2-(4-chlorophenyl)sulfanylquinolin-4-yl]carbonylamino]-2-methyl-propyl]-diethyl-azanium

Systemtic Name: [3-[[2-(4-chlorophenyl)sulfanylquinolin-4-yl]carbonylamino]-2-methyl-propyl]-diethyl-azanium Openeye Name: [3-[[2-(4-chlorophenyl)sulfanylquinoline-4-carbonyl]amino]-2-methyl-propyl]-diethyl-ammonium CAS Name: [3-[[[2-[(4-chlorophenyl)thio]-4-quinolinyl]-oxomethyl]amino]-2-methylpropyl]-diethylammonium IUPAC Name: [3-[[2-(4-chlorophenyl)sulfanylquinoline-4-carbonyl]amino]-2-methylpropyl]-diethylazanium Traditional Name: [3-[[2-[(4-chlorophenyl)thio]quinoline-4-carbonyl]amino]-2-methyl-propyl]-diethyl-ammonium Formula: C24H29ClN3OS+ MolecularWeight: 443.02456

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC(C)CNC(=O)C1=CC(=NC2=CC=CC=C21)SC3=CC=C(C=C3)Cl

Isomeric SMILES

CC[NH+](CC)CC(C)CNC(=O)C1=CC(=NC2=CC=CC=C21)SC3=CC=C(C=C3)Cl

InChI

InChI=1S/C24H28ClN3OS/c1-4-28(5-2)16-17(3)15-26-24(29)21-14-23(27-22-9-7-6-8-20(21)22)30-19-12-10-18(25)11-13-19/h6-14,17H,4-5,15-16H2,1-3H3,(H,26,29)/p+1