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

Systemtic Name: 2-[3-(2-morpholin-4-ium-4-ylethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-[3-(2-morpholin-4-ium-4-ylethyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: 2-[[3-[2-(4-morpholin-4-iumyl)ethyl]-4-oxo-2-quinazolinyl]thio]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[3-(2-morpholin-4-ium-4-ylethyl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-benzyl-2-[[4-keto-3-(2-morpholin-4-ium-4-ylethyl)quinazolin-2-yl]thio]acetamide Formula: C23H27N4O3S+ MolecularWeight: 439.55048

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCN2C(=O)C3=CC=CC=C3N=C2SCC(=O)NCC4=CC=CC=C4

Isomeric SMILES

C1COCC[NH+]1CCN2C(=O)C3=CC=CC=C3N=C2SCC(=O)NCC4=CC=CC=C4

InChI

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