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

Systemtic Name: 2-[2-(1-adamantyl)-2-oxidanylidene-ethyl]sulfanyl-3-[(4-methylphenyl)methyl]quinazolin-4-one Openeye Name: 2-[2-(1-adamantyl)-2-oxo-ethyl]sulfanyl-3-(p-tolylmethyl)quinazolin-4-one CAS Name: 2-[[2-(1-adamantyl)-2-oxoethyl]thio]-3-[(4-methylphenyl)methyl]-4-quinazolinone IUPAC Name: 2-[2-(1-adamantyl)-2-oxoethyl]sulfanyl-3-[(4-methylphenyl)methyl]quinazolin-4-one Traditional Name: 2-[[2-(1-adamantyl)-2-keto-ethyl]thio]-3-(4-methylbenzyl)quinazolin-4-one Formula: C28H30N2O2S MolecularWeight: 458.615

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3N=C2SCC(=O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3N=C2SCC(=O)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C28H30N2O2S/c1-18-6-8-19(9-7-18)16-30-26(32)23-4-2-3-5-24(23)29-27(30)33-17-25(31)28-13-20-10-21(14-28)12-22(11-20)15-28/h2-9,20-22H,10-17H2,1H3