N-(2-ethanoylphenyl)-2-[3-(3-morpholin-4-ium-4-ylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(2-ethanoylphenyl)-2-[3-(3-morpholin-4-ium-4-ylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(2-acetylphenyl)-2-[3-(3-morpholin-4-ium-4-ylpropyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-(2-acetylphenyl)-2-[[3-[3-(4-morpholin-4-iumyl)propyl]-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-(2-acetylphenyl)-2-[3-(3-morpholin-4-ium-4-ylpropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-(2-acetylphenyl)-2-[[4-keto-3-(3-morpholin-4-ium-4-ylpropyl)quinazolin-2-yl]thio]acetamide Formula: C25H29N4O4S+ MolecularWeight: 481.58716

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=CC=C1NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCC[NH+]4CCOCC4

Isomeric SMILES

CC(=O)C1=CC=CC=C1NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCC[NH+]4CCOCC4

InChI

InChI=1S/C25H28N4O4S/c1-18(30)19-7-2-4-9-21(19)26-23(31)17-34-25-27-22-10-5-3-8-20(22)24(32)29(25)12-6-11-28-13-15-33-16-14-28/h2-5,7-10H,6,11-17H2,1H3,(H,26,31)/p+1