2-[1-(1-adamantyl)-1-oxidanylidene-propan-2-yl]sulfanyl-3-prop-2-enyl-quinazolin-4-one

Systemtic Name: 2-[1-(1-adamantyl)-1-oxidanylidene-propan-2-yl]sulfanyl-3-prop-2-enyl-quinazolin-4-one Openeye Name: 2-[2-(1-adamantyl)-1-methyl-2-oxo-ethyl]sulfanyl-3-allyl-quinazolin-4-one CAS Name: 2-[[1-(1-adamantyl)-1-oxopropan-2-yl]thio]-3-prop-2-enyl-4-quinazolinone IUPAC Name: 2-[1-(1-adamantyl)-1-oxopropan-2-yl]sulfanyl-3-prop-2-enylquinazolin-4-one Traditional Name: 2-[[2-(1-adamantyl)-2-keto-1-methyl-ethyl]thio]-3-allyl-quinazolin-4-one Formula: C24H28N2O2S MolecularWeight: 408.55632

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C12CC3CC(C1)CC(C3)C2)SC4=NC5=CC=CC=C5C(=O)N4CC=C

Isomeric SMILES

CC(C(=O)C12CC3CC(C1)CC(C3)C2)SC4=NC5=CC=CC=C5C(=O)N4CC=C

InChI

InChI=1S/C24H28N2O2S/c1-3-8-26-22(28)19-6-4-5-7-20(19)25-23(26)29-15(2)21(27)24-12-16-9-17(13-24)11-18(10-16)14-24/h3-7,15-18H,1,8-14H2,2H3