N-(1-adamantyl)-2-[3-[(4-fluorophenyl)methyl]-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(1-adamantyl)-2-[3-[(4-fluorophenyl)methyl]-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(1-adamantyl)-2-[3-[(4-fluorophenyl)methyl]-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-(1-adamantyl)-2-[[3-[(4-fluorophenyl)methyl]-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-(1-adamantyl)-2-[3-[(4-fluorophenyl)methyl]-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-(1-adamantyl)-2-[[3-(4-fluorobenzyl)-4-keto-quinazolin-2-yl]thio]acetamide Formula: C27H28FN3O2S MolecularWeight: 477.593523

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)CSC4=NC5=CC=CC=C5C(=O)N4CC6=CC=C(C=C6)F

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)CSC4=NC5=CC=CC=C5C(=O)N4CC6=CC=C(C=C6)F

InChI

InChI=1S/C27H28FN3O2S/c28-21-7-5-17(6-8-21)15-31-25(33)22-3-1-2-4-23(22)29-26(31)34-16-24(32)30-27-12-18-9-19(13-27)11-20(10-18)14-27/h1-8,18-20H,9-16H2,(H,30,32)