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

Systemtic Name: 3-morpholin-4-ium-4-yl-N-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)propanamide Openeye Name: 3-morpholin-4-ium-4-yl-N-(4-oxo-2-thioxo-1H-quinazolin-3-yl)propanamide CAS Name: 3-(4-morpholin-4-iumyl)-N-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)propanamide IUPAC Name: 3-morpholin-4-ium-4-yl-N-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)propanamide Traditional Name: N-(4-keto-2-thioxo-1H-quinazolin-3-yl)-3-morpholin-4-ium-4-yl-propionamide Formula: C15H19N4O3S+ MolecularWeight: 335.40136

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCC(=O)NN2C(=O)C3=CC=CC=C3NC2=S

Isomeric SMILES

C1COCC[NH+]1CCC(=O)NN2C(=O)C3=CC=CC=C3NC2=S

InChI

InChI=1S/C15H18N4O3S/c20-13(5-6-18-7-9-22-10-8-18)17-19-14(21)11-3-1-2-4-12(11)16-15(19)23/h1-4H,5-10H2,(H,16,23)(H,17,20)/p+1