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

Systemtic Name: 2-[2-(1-adamantyl)-2-oxidanylidene-ethyl]sulfanyl-3-[2-(cyclohexen-1-yl)ethyl]quinazolin-4-one Openeye Name: 2-[2-(1-adamantyl)-2-oxo-ethyl]sulfanyl-3-[2-(cyclohexen-1-yl)ethyl]quinazolin-4-one CAS Name: 2-[[2-(1-adamantyl)-2-oxoethyl]thio]-3-[2-(1-cyclohexenyl)ethyl]-4-quinazolinone IUPAC Name: 2-[2-(1-adamantyl)-2-oxoethyl]sulfanyl-3-[2-(cyclohexen-1-yl)ethyl]quinazolin-4-one Traditional Name: 2-[[2-(1-adamantyl)-2-keto-ethyl]thio]-3-[2-(cyclohexen-1-yl)ethyl]quinazolin-4-one Formula: C28H34N2O2S MolecularWeight: 462.64676

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=CC1)CCN2C(=O)C3=CC=CC=C3N=C2SCC(=O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

C1CCC(=CC1)CCN2C(=O)C3=CC=CC=C3N=C2SCC(=O)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C28H34N2O2S/c31-25(28-15-20-12-21(16-28)14-22(13-20)17-28)18-33-27-29-24-9-5-4-8-23(24)26(32)30(27)11-10-19-6-2-1-3-7-19/h4-6,8-9,20-22H,1-3,7,10-18H2