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

Systemtic Name: N-(3-ethanoylphenyl)-2-[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]sulfanyl-ethanamide Openeye Name: N-(3-acetylphenyl)-2-[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]sulfanyl-acetamide CAS Name: N-(3-acetylphenyl)-2-[[2-(4-morpholin-4-iumylmethyl)-4-quinazolinyl]thio]acetamide IUPAC Name: N-(3-acetylphenyl)-2-[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]sulfanylacetamide Traditional Name: N-(3-acetylphenyl)-2-[[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]thio]acetamide Formula: C23H25N4O3S+ MolecularWeight: 437.5346

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)NC(=O)CSC2=NC(=NC3=CC=CC=C32)C[NH+]4CCOCC4

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)NC(=O)CSC2=NC(=NC3=CC=CC=C32)C[NH+]4CCOCC4

InChI

InChI=1S/C23H24N4O3S/c1-16(28)17-5-4-6-18(13-17)24-22(29)15-31-23-19-7-2-3-8-20(19)25-21(26-23)14-27-9-11-30-12-10-27/h2-8,13H,9-12,14-15H2,1H3,(H,24,29)/p+1