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

Systemtic Name: N-[1-(1-adamantyl)ethyl]-2-[4-oxidanylidene-3-(3-oxidanylpropyl)quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-[1-(1-adamantyl)ethyl]-2-[3-(3-hydroxypropyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-[1-(1-adamantyl)ethyl]-2-[[3-(3-hydroxypropyl)-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-[1-(1-adamantyl)ethyl]-2-[3-(3-hydroxypropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-[1-(1-adamantyl)ethyl]-2-[[3-(3-hydroxypropyl)-4-keto-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)N4CCCO

Isomeric SMILES

CC(C12CC3CC(C1)CC(C3)C2)NC(=O)CSC4=NC5=CC=CC=C5C(=O)N4CCCO

InChI

InChI=1S/C25H33N3O3S/c1-16(25-12-17-9-18(13-25)11-19(10-17)14-25)26-22(30)15-32-24-27-21-6-3-2-5-20(21)23(31)28(24)7-4-8-29/h2-3,5-6,16-19,29H,4,7-15H2,1H3,(H,26,30)