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

Systemtic Name: N-(1-adamantyl)-2-[3-(2-methylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(1-adamantyl)-2-(3-isobutyl-4-oxo-quinazolin-2-yl)sulfanyl-acetamide CAS Name: N-(1-adamantyl)-2-[[3-(2-methylpropyl)-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-(1-adamantyl)-2-[3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-(1-adamantyl)-2-[(3-isobutyl-4-keto-quinazolin-2-yl)thio]acetamide Formula: C24H31N3O2S MolecularWeight: 425.58684

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC(C)CN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C24H31N3O2S/c1-15(2)13-27-22(29)19-5-3-4-6-20(19)25-23(27)30-14-21(28)26-24-10-16-7-17(11-24)9-18(8-16)12-24/h3-6,15-18H,7-14H2,1-2H3,(H,26,28)