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

Systemtic Name: 2-[3-(3-morpholin-4-ium-4-ylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-phenethyl-ethanamide Openeye Name: 2-[3-(3-morpholin-4-ium-4-ylpropyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-phenethyl-acetamide CAS Name: 2-[[3-[3-(4-morpholin-4-iumyl)propyl]-4-oxo-2-quinazolinyl]thio]-N-phenethylacetamide IUPAC Name: 2-[3-(3-morpholin-4-ium-4-ylpropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-phenethylacetamide Traditional Name: 2-[[4-keto-3-(3-morpholin-4-ium-4-ylpropyl)quinazolin-2-yl]thio]-N-phenethyl-acetamide Formula: C25H31N4O3S+ MolecularWeight: 467.60364

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCCN2C(=O)C3=CC=CC=C3N=C2SCC(=O)NCCC4=CC=CC=C4

Isomeric SMILES

C1COCC[NH+]1CCCN2C(=O)C3=CC=CC=C3N=C2SCC(=O)NCCC4=CC=CC=C4

InChI

InChI=1S/C25H30N4O3S/c30-23(26-12-11-20-7-2-1-3-8-20)19-33-25-27-22-10-5-4-9-21(22)24(31)29(25)14-6-13-28-15-17-32-18-16-28/h1-5,7-10H,6,11-19H2,(H,26,30)/p+1