2-[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]sulfanyl-N-(2-thiophen-2-ylethyl)ethanamide

Systemtic Name: 2-[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]sulfanyl-N-(2-thiophen-2-ylethyl)ethanamide Openeye Name: 2-[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]sulfanyl-N-[2-(2-thienyl)ethyl]acetamide CAS Name: 2-[[2-(4-morpholin-4-iumylmethyl)-4-quinazolinyl]thio]-N-(2-thiophen-2-ylethyl)acetamide IUPAC Name: 2-[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]sulfanyl-N-(2-thiophen-2-ylethyl)acetamide Traditional Name: 2-[[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]thio]-N-[2-(2-thienyl)ethyl]acetamide Formula: C21H25N4O2S2+ MolecularWeight: 429.5788

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC2=NC3=CC=CC=C3C(=N2)SCC(=O)NCCC4=CC=CS4

Isomeric SMILES

C1COCC[NH+]1CC2=NC3=CC=CC=C3C(=N2)SCC(=O)NCCC4=CC=CS4

InChI

InChI=1S/C21H24N4O2S2/c26-20(22-8-7-16-4-3-13-28-16)15-29-21-17-5-1-2-6-18(17)23-19(24-21)14-25-9-11-27-12-10-25/h1-6,13H,7-12,14-15H2,(H,22,26)/p+1