N-(3-morpholin-4-ium-4-ylpropyl)-2-(4-oxidanylidene-3-phenyl-quinazolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(3-morpholin-4-ium-4-ylpropyl)-2-(4-oxidanylidene-3-phenyl-quinazolin-2-yl)sulfanyl-ethanamide Openeye Name: N-(3-morpholin-4-ium-4-ylpropyl)-2-(4-oxo-3-phenyl-quinazolin-2-yl)sulfanyl-acetamide CAS Name: N-[3-(4-morpholin-4-iumyl)propyl]-2-[(4-oxo-3-phenyl-2-quinazolinyl)thio]acetamide IUPAC Name: N-(3-morpholin-4-ium-4-ylpropyl)-2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetamide Traditional Name: 2-[(4-keto-3-phenyl-quinazolin-2-yl)thio]-N-(3-morpholin-4-ium-4-ylpropyl)acetamide Formula: C23H27N4O3S+ MolecularWeight: 439.55048

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCCNC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=CC=C4

Isomeric SMILES

C1COCC[NH+]1CCCNC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=CC=C4

InChI

InChI=1S/C23H26N4O3S/c28-21(24-11-6-12-26-13-15-30-16-14-26)17-31-23-25-20-10-5-4-9-19(20)22(29)27(23)18-7-2-1-3-8-18/h1-5,7-10H,6,11-17H2,(H,24,28)/p+1