2-[3-(3-morpholin-4-ium-4-ylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(2,4,6-trimethylphenyl)ethanamide

Systemtic Name: 2-[3-(3-morpholin-4-ium-4-ylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(2,4,6-trimethylphenyl)ethanamide Openeye Name: 2-[3-(3-morpholin-4-ium-4-ylpropyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-(2,4,6-trimethylphenyl)acetamide CAS Name: 2-[[3-[3-(4-morpholin-4-iumyl)propyl]-4-oxo-2-quinazolinyl]thio]-N-(2,4,6-trimethylphenyl)acetamide IUPAC Name: 2-[3-(3-morpholin-4-ium-4-ylpropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2,4,6-trimethylphenyl)acetamide Traditional Name: 2-[[4-keto-3-(3-morpholin-4-ium-4-ylpropyl)quinazolin-2-yl]thio]-N-mesityl-acetamide Formula: C26H33N4O3S+ MolecularWeight: 481.63022

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCC[NH+]4CCOCC4)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCC[NH+]4CCOCC4)C

InChI

InChI=1S/C26H32N4O3S/c1-18-15-19(2)24(20(3)16-18)28-23(31)17-34-26-27-22-8-5-4-7-21(22)25(32)30(26)10-6-9-29-11-13-33-14-12-29/h4-5,7-8,15-16H,6,9-14,17H2,1-3H3,(H,28,31)/p+1