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

Systemtic Name: N-(3-morpholin-4-ium-4-ylpropyl)-3-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)propanamide Openeye Name: N-(3-morpholin-4-ium-4-ylpropyl)-3-(4-oxo-2-thioxo-1H-quinazolin-3-yl)propanamide CAS Name: N-[3-(4-morpholin-4-iumyl)propyl]-3-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)propanamide IUPAC Name: N-(3-morpholin-4-ium-4-ylpropyl)-3-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)propanamide Traditional Name: 3-(4-keto-2-thioxo-1H-quinazolin-3-yl)-N-(3-morpholin-4-ium-4-ylpropyl)propionamide Formula: C18H25N4O3S+ MolecularWeight: 377.4811

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCCNC(=O)CCN2C(=O)C3=CC=CC=C3NC2=S

Isomeric SMILES

C1COCC[NH+]1CCCNC(=O)CCN2C(=O)C3=CC=CC=C3NC2=S

InChI

InChI=1S/C18H24N4O3S/c23-16(19-7-3-8-21-10-12-25-13-11-21)6-9-22-17(24)14-4-1-2-5-15(14)20-18(22)26/h1-2,4-5H,3,6-13H2,(H,19,23)(H,20,26)/p+1