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

Systemtic Name: 2-[2-(1-adamantyl)-2-oxidanylidene-ethyl]sulfanyl-3-(4-ethoxyphenyl)quinazolin-4-one Openeye Name: 2-[2-(1-adamantyl)-2-oxo-ethyl]sulfanyl-3-(4-ethoxyphenyl)quinazolin-4-one CAS Name: 2-[[2-(1-adamantyl)-2-oxoethyl]thio]-3-(4-ethoxyphenyl)-4-quinazolinone IUPAC Name: 2-[2-(1-adamantyl)-2-oxoethyl]sulfanyl-3-(4-ethoxyphenyl)quinazolin-4-one Traditional Name: 2-[[2-(1-adamantyl)-2-keto-ethyl]thio]-3-p-phenetyl-quinazolin-4-one Formula: C28H30N2O3S MolecularWeight: 474.6144

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C28H30N2O3S/c1-2-33-22-9-7-21(8-10-22)30-26(32)23-5-3-4-6-24(23)29-27(30)34-17-25(31)28-14-18-11-19(15-28)13-20(12-18)16-28/h3-10,18-20H,2,11-17H2,1H3