N-ethyl-2-[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]sulfanyl-N-(phenylmethyl)ethanamide

Systemtic Name: N-ethyl-2-[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]sulfanyl-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-N-ethyl-2-[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]sulfanyl-acetamide CAS Name: N-ethyl-2-[[2-(4-morpholin-4-iumylmethyl)-4-quinazolinyl]thio]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-N-ethyl-2-[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]sulfanylacetamide Traditional Name: N-benzyl-N-ethyl-2-[[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]thio]acetamide Formula: C24H29N4O2S+ MolecularWeight: 437.57766

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=CC=C1)C(=O)CSC2=NC(=NC3=CC=CC=C32)C[NH+]4CCOCC4

Isomeric SMILES

CCN(CC1=CC=CC=C1)C(=O)CSC2=NC(=NC3=CC=CC=C32)C[NH+]4CCOCC4

InChI

InChI=1S/C24H28N4O2S/c1-2-28(16-19-8-4-3-5-9-19)23(29)18-31-24-20-10-6-7-11-21(20)25-22(26-24)17-27-12-14-30-15-13-27/h3-11H,2,12-18H2,1H3/p+1