N-(3-morpholin-4-ium-4-ylpropyl)-2-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)ethanamide

Systemtic Name: N-(3-morpholin-4-ium-4-ylpropyl)-2-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)ethanamide Openeye Name: N-(3-morpholin-4-ium-4-ylpropyl)-2-(4-oxo-2-thioxo-1H-quinazolin-3-yl)acetamide CAS Name: N-[3-(4-morpholin-4-iumyl)propyl]-2-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)acetamide IUPAC Name: N-(3-morpholin-4-ium-4-ylpropyl)-2-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)acetamide Traditional Name: 2-(4-keto-2-thioxo-1H-quinazolin-3-yl)-N-(3-morpholin-4-ium-4-ylpropyl)acetamide Formula: C17H23N4O3S+ MolecularWeight: 363.45452

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCCNC(=O)CN2C(=O)C3=CC=CC=C3NC2=S

Isomeric SMILES

C1COCC[NH+]1CCCNC(=O)CN2C(=O)C3=CC=CC=C3NC2=S

InChI

InChI=1S/C17H22N4O3S/c22-15(18-6-3-7-20-8-10-24-11-9-20)12-21-16(23)13-4-1-2-5-14(13)19-17(21)25/h1-2,4-5H,3,6-12H2,(H,18,22)(H,19,25)/p+1