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

Systemtic Name: 2-[2-(1-adamantyl)-2-oxidanylidene-ethyl]sulfanyl-3-(4-phenoxyphenyl)quinazolin-4-one Openeye Name: 2-[2-(1-adamantyl)-2-oxo-ethyl]sulfanyl-3-(4-phenoxyphenyl)quinazolin-4-one CAS Name: 2-[[2-(1-adamantyl)-2-oxoethyl]thio]-3-(4-phenoxyphenyl)-4-quinazolinone IUPAC Name: 2-[2-(1-adamantyl)-2-oxoethyl]sulfanyl-3-(4-phenoxyphenyl)quinazolin-4-one Traditional Name: 2-[[2-(1-adamantyl)-2-keto-ethyl]thio]-3-(4-phenoxyphenyl)quinazolin-4-one Formula: C32H30N2O3S MolecularWeight: 522.6572

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)CSC4=NC5=CC=CC=C5C(=O)N4C6=CC=C(C=C6)OC7=CC=CC=C7

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)CSC4=NC5=CC=CC=C5C(=O)N4C6=CC=C(C=C6)OC7=CC=CC=C7

InChI

InChI=1S/C32H30N2O3S/c35-29(32-17-21-14-22(18-32)16-23(15-21)19-32)20-38-31-33-28-9-5-4-8-27(28)30(36)34(31)24-10-12-26(13-11-24)37-25-6-2-1-3-7-25/h1-13,21-23H,14-20H2