N-[1-(1-adamantyl)ethyl]-2-[3-(2-methoxyethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-[1-(1-adamantyl)ethyl]-2-[3-(2-methoxyethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-[1-(1-adamantyl)ethyl]-2-[3-(2-methoxyethyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-[1-(1-adamantyl)ethyl]-2-[[3-(2-methoxyethyl)-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-[1-(1-adamantyl)ethyl]-2-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-[1-(1-adamantyl)ethyl]-2-[[4-keto-3-(2-methoxyethyl)quinazolin-2-yl]thio]acetamide Formula: C25H33N3O3S MolecularWeight: 455.61282

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Descriptors Computed from Structure

Canonical SMILES:

CC(C12CC3CC(C1)CC(C3)C2)NC(=O)CSC4=NC5=CC=CC=C5C(=O)N4CCOC

Isomeric SMILES

CC(C12CC3CC(C1)CC(C3)C2)NC(=O)CSC4=NC5=CC=CC=C5C(=O)N4CCOC

InChI

InChI=1S/C25H33N3O3S/c1-16(25-12-17-9-18(13-25)11-19(10-17)14-25)26-22(29)15-32-24-27-21-6-4-3-5-20(21)23(30)28(24)7-8-31-2/h3-6,16-19H,7-15H2,1-2H3,(H,26,29)