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

Systemtic Name: 2-[3-(3-morpholin-4-ium-4-ylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-naphthalen-1-yl-ethanamide Openeye Name: 2-[3-(3-morpholin-4-ium-4-ylpropyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-(1-naphthyl)acetamide CAS Name: 2-[[3-[3-(4-morpholin-4-iumyl)propyl]-4-oxo-2-quinazolinyl]thio]-N-(1-naphthalenyl)acetamide IUPAC Name: 2-[3-(3-morpholin-4-ium-4-ylpropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-naphthalen-1-ylacetamide Traditional Name: 2-[[4-keto-3-(3-morpholin-4-ium-4-ylpropyl)quinazolin-2-yl]thio]-N-(1-naphthyl)acetamide Formula: C27H29N4O3S+ MolecularWeight: 489.60916

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCCN2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=CC=CC5=CC=CC=C54

Isomeric SMILES

C1COCC[NH+]1CCCN2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C27H28N4O3S/c32-25(28-23-12-5-8-20-7-1-2-9-21(20)23)19-35-27-29-24-11-4-3-10-22(24)26(33)31(27)14-6-13-30-15-17-34-18-16-30/h1-5,7-12H,6,13-19H2,(H,28,32)/p+1