N-(1-adamantylcarbamoyl)-2-(2-methylquinazolin-4-yl)sulfanyl-ethanamide

Systemtic Name: N-(1-adamantylcarbamoyl)-2-(2-methylquinazolin-4-yl)sulfanyl-ethanamide Openeye Name: N-(1-adamantylcarbamoyl)-2-(2-methylquinazolin-4-yl)sulfanyl-acetamide CAS Name: N-[(1-adamantylamino)-oxomethyl]-2-[(2-methyl-4-quinazolinyl)thio]acetamide IUPAC Name: N-(1-adamantylcarbamoyl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide Traditional Name: N-(1-adamantylcarbamoyl)-2-[(2-methylquinazolin-4-yl)thio]acetamide Formula: C22H26N4O2S MolecularWeight: 410.53244

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=N1)SCC(=O)NC(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=N1)SCC(=O)NC(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C22H26N4O2S/c1-13-23-18-5-3-2-4-17(18)20(24-13)29-12-19(27)25-21(28)26-22-9-14-6-15(10-22)8-16(7-14)11-22/h2-5,14-16H,6-12H2,1H3,(H2,25,26,27,28)