N-(2-cyanoethyl)-2-[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]sulfanyl-N-phenyl-ethanamide

Systemtic Name: N-(2-cyanoethyl)-2-[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]sulfanyl-N-phenyl-ethanamide Openeye Name: N-(2-cyanoethyl)-2-[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]sulfanyl-N-phenyl-acetamide CAS Name: N-(2-cyanoethyl)-2-[[2-(4-morpholin-4-iumylmethyl)-4-quinazolinyl]thio]-N-phenylacetamide IUPAC Name: N-(2-cyanoethyl)-2-[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]sulfanyl-N-phenylacetamide Traditional Name: N-(2-cyanoethyl)-2-[[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]thio]-N-phenyl-acetamide Formula: C24H26N5O2S+ MolecularWeight: 448.56054

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC2=NC3=CC=CC=C3C(=N2)SCC(=O)N(CCC#N)C4=CC=CC=C4

Isomeric SMILES

C1COCC[NH+]1CC2=NC3=CC=CC=C3C(=N2)SCC(=O)N(CCC#N)C4=CC=CC=C4

InChI

InChI=1S/C24H25N5O2S/c25-11-6-12-29(19-7-2-1-3-8-19)23(30)18-32-24-20-9-4-5-10-21(20)26-22(27-24)17-28-13-15-31-16-14-28/h1-5,7-10H,6,12-18H2/p+1