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

Systemtic Name: N-(1-adamantyl)-2-[4-oxidanylidene-3-(phenylmethyl)quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(1-adamantyl)-2-(3-benzyl-4-oxo-quinazolin-2-yl)sulfanyl-acetamide CAS Name: N-(1-adamantyl)-2-[[4-oxo-3-(phenylmethyl)-2-quinazolinyl]thio]acetamide IUPAC Name: N-(1-adamantyl)-2-(3-benzyl-4-oxoquinazolin-2-yl)sulfanylacetamide Traditional Name: N-(1-adamantyl)-2-[(3-benzyl-4-keto-quinazolin-2-yl)thio]acetamide Formula: C27H29N3O2S MolecularWeight: 459.60306

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H29N3O2S/c31-24(29-27-13-19-10-20(14-27)12-21(11-19)15-27)17-33-26-28-23-9-5-4-8-22(23)25(32)30(26)16-18-6-2-1-3-7-18/h1-9,19-21H,10-17H2,(H,29,31)