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

Systemtic Name: N-[1-(1-adamantyl)ethyl]-2-(3-cyclopentyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-ethanamide Openeye Name: N-[1-(1-adamantyl)ethyl]-2-(3-cyclopentyl-4-oxo-quinazolin-2-yl)sulfanyl-acetamide CAS Name: N-[1-(1-adamantyl)ethyl]-2-[(3-cyclopentyl-4-oxo-2-quinazolinyl)thio]acetamide IUPAC Name: N-[1-(1-adamantyl)ethyl]-2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanylacetamide Traditional Name: N-[1-(1-adamantyl)ethyl]-2-[(3-cyclopentyl-4-keto-quinazolin-2-yl)thio]acetamide Formula: C27H35N3O2S MolecularWeight: 465.6507

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Descriptors Computed from Structure

Canonical SMILES:

CC(C12CC3CC(C1)CC(C3)C2)NC(=O)CSC4=NC5=CC=CC=C5C(=O)N4C6CCCC6

Isomeric SMILES

CC(C12CC3CC(C1)CC(C3)C2)NC(=O)CSC4=NC5=CC=CC=C5C(=O)N4C6CCCC6

InChI

InChI=1S/C27H35N3O2S/c1-17(27-13-18-10-19(14-27)12-20(11-18)15-27)28-24(31)16-33-26-29-23-9-5-4-8-22(23)25(32)30(26)21-6-2-3-7-21/h4-5,8-9,17-21H,2-3,6-7,10-16H2,1H3,(H,28,31)