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

Systemtic Name: 2-[2-(1-adamantyl)-2-oxidanylidene-ethyl]sulfanyl-3-(2-methoxyethyl)quinazolin-4-one Openeye Name: 2-[2-(1-adamantyl)-2-oxo-ethyl]sulfanyl-3-(2-methoxyethyl)quinazolin-4-one CAS Name: 2-[[2-(1-adamantyl)-2-oxoethyl]thio]-3-(2-methoxyethyl)-4-quinazolinone IUPAC Name: 2-[2-(1-adamantyl)-2-oxoethyl]sulfanyl-3-(2-methoxyethyl)quinazolin-4-one Traditional Name: 2-[[2-(1-adamantyl)-2-keto-ethyl]thio]-3-(2-methoxyethyl)quinazolin-4-one Formula: C23H28N2O3S MolecularWeight: 412.54502

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C23H28N2O3S/c1-28-7-6-25-21(27)18-4-2-3-5-19(18)24-22(25)29-14-20(26)23-11-15-8-16(12-23)10-17(9-15)13-23/h2-5,15-17H,6-14H2,1H3