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

Systemtic Name: N-(4-methylphenyl)-2-[4-oxidanylidene-3-(3-piperidin-1-ium-1-ylpropyl)quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: 2-[4-oxo-3-(3-piperidin-1-ium-1-ylpropyl)quinazolin-2-yl]sulfanyl-N-(p-tolyl)acetamide CAS Name: N-(4-methylphenyl)-2-[[4-oxo-3-[3-(1-piperidin-1-iumyl)propyl]-2-quinazolinyl]thio]acetamide IUPAC Name: N-(4-methylphenyl)-2-[4-oxo-3-(3-piperidin-1-ium-1-ylpropyl)quinazolin-2-yl]sulfanylacetamide Traditional Name: 2-[[4-keto-3-(3-piperidin-1-ium-1-ylpropyl)quinazolin-2-yl]thio]-N-(p-tolyl)acetamide Formula: C25H31N4O2S+ MolecularWeight: 451.60424

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCC[NH+]4CCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCC[NH+]4CCCCC4

InChI

InChI=1S/C25H30N4O2S/c1-19-10-12-20(13-11-19)26-23(30)18-32-25-27-22-9-4-3-8-21(22)24(31)29(25)17-7-16-28-14-5-2-6-15-28/h3-4,8-13H,2,5-7,14-18H2,1H3,(H,26,30)/p+1