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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC[C@H](C)N1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C24H31N3O2S/c1-3-15(2)27-22(29)19-6-4-5-7-20(19)25-23(27)30-14-21(28)26-24-11-16-8-17(12-24)10-18(9-16)13-24/h4-7,15-18H,3,8-14H2,1-2H3,(H,26,28)/t15-,16?,17?,18?,24?/m0/s1