2-[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]sulfanyl-N-(3-propan-2-ylphenyl)ethanamide

Systemtic Name: 2-[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]sulfanyl-N-(3-propan-2-ylphenyl)ethanamide Openeye Name: N-(3-isopropylphenyl)-2-[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]sulfanyl-acetamide CAS Name: 2-[[2-(4-morpholin-4-iumylmethyl)-4-quinazolinyl]thio]-N-(3-propan-2-ylphenyl)acetamide IUPAC Name: 2-[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]sulfanyl-N-(3-propan-2-ylphenyl)acetamide Traditional Name: N-m-cumenyl-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:

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

Isomeric SMILES

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

InChI

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