N-(2-chlorophenyl)-2-[4-oxidanylidene-3-(3-piperidin-1-ium-1-ylpropyl)quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(2-chlorophenyl)-2-[4-oxidanylidene-3-(3-piperidin-1-ium-1-ylpropyl)quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(2-chlorophenyl)-2-[4-oxo-3-(3-piperidin-1-ium-1-ylpropyl)quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-(2-chlorophenyl)-2-[[4-oxo-3-[3-(1-piperidin-1-iumyl)propyl]-2-quinazolinyl]thio]acetamide IUPAC Name: N-(2-chlorophenyl)-2-[4-oxo-3-(3-piperidin-1-ium-1-ylpropyl)quinazolin-2-yl]sulfanylacetamide Traditional Name: N-(2-chlorophenyl)-2-[[4-keto-3-(3-piperidin-1-ium-1-ylpropyl)quinazolin-2-yl]thio]acetamide Formula: C24H28ClN4O2S+ MolecularWeight: 472.02272

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCCN2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=CC=CC=C4Cl

Isomeric SMILES

C1CC[NH+](CC1)CCCN2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=CC=CC=C4Cl

InChI

InChI=1S/C24H27ClN4O2S/c25-19-10-3-5-12-21(19)26-22(30)17-32-24-27-20-11-4-2-9-18(20)23(31)29(24)16-8-15-28-13-6-1-7-14-28/h2-5,9-12H,1,6-8,13-17H2,(H,26,30)/p+1