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

Systemtic Name: N-(3-morpholin-4-ium-4-ylpropyl)-4-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)benzamide Openeye Name: N-(3-morpholin-4-ium-4-ylpropyl)-4-(4-oxo-2-thioxo-1H-quinazolin-3-yl)benzamide CAS Name: N-[3-(4-morpholin-4-iumyl)propyl]-4-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)benzamide IUPAC Name: N-(3-morpholin-4-ium-4-ylpropyl)-4-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)benzamide Traditional Name: 4-(4-keto-2-thioxo-1H-quinazolin-3-yl)-N-(3-morpholin-4-ium-4-ylpropyl)benzamide Formula: C22H25N4O3S+ MolecularWeight: 425.5239

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCCNC(=O)C2=CC=C(C=C2)N3C(=O)C4=CC=CC=C4NC3=S

Isomeric SMILES

C1COCC[NH+]1CCCNC(=O)C2=CC=C(C=C2)N3C(=O)C4=CC=CC=C4NC3=S

InChI

InChI=1S/C22H24N4O3S/c27-20(23-10-3-11-25-12-14-29-15-13-25)16-6-8-17(9-7-16)26-21(28)18-4-1-2-5-19(18)24-22(26)30/h1-2,4-9H,3,10-15H2,(H,23,27)(H,24,30)/p+1