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

Systemtic Name: N-(1-adamantyl)-2-[3-(1-methoxypropan-2-yl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(1-adamantyl)-2-[3-(2-methoxy-1-methyl-ethyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-(1-adamantyl)-2-[[3-(1-methoxypropan-2-yl)-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-(1-adamantyl)-2-[3-(1-methoxypropan-2-yl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-(1-adamantyl)-2-[[4-keto-3-(2-methoxy-1-methyl-ethyl)quinazolin-2-yl]thio]acetamide Formula: C24H31N3O3S MolecularWeight: 441.58624

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC)N1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC(COC)N1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C24H31N3O3S/c1-15(13-30-2)27-22(29)19-5-3-4-6-20(19)25-23(27)31-14-21(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)