(2R)-N-(1-adamantyl)-2-(2-methylquinazolin-4-yl)sulfanyl-propanamide

Systemtic Name: (2R)-N-(1-adamantyl)-2-(2-methylquinazolin-4-yl)sulfanyl-propanamide Openeye Name: (2R)-N-(1-adamantyl)-2-(2-methylquinazolin-4-yl)sulfanyl-propanamide CAS Name: (2R)-N-(1-adamantyl)-2-[(2-methyl-4-quinazolinyl)thio]propanamide IUPAC Name: (2R)-N-(1-adamantyl)-2-(2-methylquinazolin-4-yl)sulfanylpropanamide Traditional Name: (2R)-N-(1-adamantyl)-2-[(2-methylquinazolin-4-yl)thio]propionamide Formula: C22H27N3OS MolecularWeight: 381.53428

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=N1)SC(C)C(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=N1)S[C@H](C)C(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C22H27N3OS/c1-13(27-21-18-5-3-4-6-19(18)23-14(2)24-21)20(26)25-22-10-15-7-16(11-22)9-17(8-15)12-22/h3-6,13,15-17H,7-12H2,1-2H3,(H,25,26)/t13-,15?,16?,17?,22?/m1/s1