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

Systemtic Name: 2-[3-(3-morpholin-4-ium-4-ylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(3-phenylpropyl)ethanamide Openeye Name: 2-[3-(3-morpholin-4-ium-4-ylpropyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-(3-phenylpropyl)acetamide CAS Name: 2-[[3-[3-(4-morpholin-4-iumyl)propyl]-4-oxo-2-quinazolinyl]thio]-N-(3-phenylpropyl)acetamide IUPAC Name: 2-[3-(3-morpholin-4-ium-4-ylpropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(3-phenylpropyl)acetamide Traditional Name: 2-[[4-keto-3-(3-morpholin-4-ium-4-ylpropyl)quinazolin-2-yl]thio]-N-(3-phenylpropyl)acetamide Formula: C26H33N4O3S+ MolecularWeight: 481.63022

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCCN2C(=O)C3=CC=CC=C3N=C2SCC(=O)NCCCC4=CC=CC=C4

Isomeric SMILES

C1COCC[NH+]1CCCN2C(=O)C3=CC=CC=C3N=C2SCC(=O)NCCCC4=CC=CC=C4

InChI

InChI=1S/C26H32N4O3S/c31-24(27-13-6-10-21-8-2-1-3-9-21)20-34-26-28-23-12-5-4-11-22(23)25(32)30(26)15-7-14-29-16-18-33-19-17-29/h1-5,8-9,11-12H,6-7,10,13-20H2,(H,27,31)/p+1