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

Systemtic Name: N-(4-ethylphenyl)-2-[4-oxidanylidene-3-(3-piperidin-1-ium-1-ylpropyl)quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(4-ethylphenyl)-2-[4-oxo-3-(3-piperidin-1-ium-1-ylpropyl)quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-(4-ethylphenyl)-2-[[4-oxo-3-[3-(1-piperidin-1-iumyl)propyl]-2-quinazolinyl]thio]acetamide IUPAC Name: N-(4-ethylphenyl)-2-[4-oxo-3-(3-piperidin-1-ium-1-ylpropyl)quinazolin-2-yl]sulfanylacetamide Traditional Name: N-(4-ethylphenyl)-2-[[4-keto-3-(3-piperidin-1-ium-1-ylpropyl)quinazolin-2-yl]thio]acetamide Formula: C26H33N4O2S+ MolecularWeight: 465.63082

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCC[NH+]4CCCCC4

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCC[NH+]4CCCCC4

InChI

InChI=1S/C26H32N4O2S/c1-2-20-11-13-21(14-12-20)27-24(31)19-33-26-28-23-10-5-4-9-22(23)25(32)30(26)18-8-17-29-15-6-3-7-16-29/h4-5,9-14H,2-3,6-8,15-19H2,1H3,(H,27,31)/p+1