2-[2-(1-adamantyl)-2-oxidanylidene-ethyl]sulfanyl-3-(2-methoxy-5-methyl-phenyl)quinazolin-4-one

Systemtic Name: 2-[2-(1-adamantyl)-2-oxidanylidene-ethyl]sulfanyl-3-(2-methoxy-5-methyl-phenyl)quinazolin-4-one Openeye Name: 2-[2-(1-adamantyl)-2-oxo-ethyl]sulfanyl-3-(2-methoxy-5-methyl-phenyl)quinazolin-4-one CAS Name: 2-[[2-(1-adamantyl)-2-oxoethyl]thio]-3-(2-methoxy-5-methylphenyl)-4-quinazolinone IUPAC Name: 2-[2-(1-adamantyl)-2-oxoethyl]sulfanyl-3-(2-methoxy-5-methylphenyl)quinazolin-4-one Traditional Name: 2-[[2-(1-adamantyl)-2-keto-ethyl]thio]-3-(2-methoxy-5-methyl-phenyl)quinazolin-4-one Formula: C28H30N2O3S MolecularWeight: 474.6144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CC1=CC(=C(C=C1)OC)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)C45CC6CC(C4)CC(C6)C5

InChI

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