2-[2-(1-adamantyl)-2-oxidanylidene-ethyl]sulfanyl-3-(3-ethoxypropyl)quinazolin-4-one

Systemtic Name: 2-[2-(1-adamantyl)-2-oxidanylidene-ethyl]sulfanyl-3-(3-ethoxypropyl)quinazolin-4-one Openeye Name: 2-[2-(1-adamantyl)-2-oxo-ethyl]sulfanyl-3-(3-ethoxypropyl)quinazolin-4-one CAS Name: 2-[[2-(1-adamantyl)-2-oxoethyl]thio]-3-(3-ethoxypropyl)-4-quinazolinone IUPAC Name: 2-[2-(1-adamantyl)-2-oxoethyl]sulfanyl-3-(3-ethoxypropyl)quinazolin-4-one Traditional Name: 2-[[2-(1-adamantyl)-2-keto-ethyl]thio]-3-(3-ethoxypropyl)quinazolin-4-one Formula: C25H32N2O3S MolecularWeight: 440.59818

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCOCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C25H32N2O3S/c1-2-30-9-5-8-27-23(29)20-6-3-4-7-21(20)26-24(27)31-16-22(28)25-13-17-10-18(14-25)12-19(11-17)15-25/h3-4,6-7,17-19H,2,5,8-16H2,1H3