2-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]-N-(3-ethanoylphenyl)ethanamide

Systemtic Name: 2-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]-N-(3-ethanoylphenyl)ethanamide Openeye Name: N-(3-acetylphenyl)-2-[(4,6-dimorpholino-1,3,5-triazin-2-yl)sulfanyl]acetamide CAS Name: N-(3-acetylphenyl)-2-[[4,6-bis(4-morpholinyl)-1,3,5-triazin-2-yl]thio]acetamide IUPAC Name: N-(3-acetylphenyl)-2-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]acetamide Traditional Name: N-(3-acetylphenyl)-2-[(4,6-dimorpholino-s-triazin-2-yl)thio]acetamide Formula: C21H26N6O4S MolecularWeight: 458.53394

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)NC(=O)CSC2=NC(=NC(=N2)N3CCOCC3)N4CCOCC4

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)NC(=O)CSC2=NC(=NC(=N2)N3CCOCC3)N4CCOCC4

InChI

InChI=1S/C21H26N6O4S/c1-15(28)16-3-2-4-17(13-16)22-18(29)14-32-21-24-19(26-5-9-30-10-6-26)23-20(25-21)27-7-11-31-12-8-27/h2-4,13H,5-12,14H2,1H3,(H,22,29)