(2R)-N-(1-adamantyl)-2-(7-chloranyl-4-oxidanylidene-3-propan-2-yl-quinazolin-2-yl)sulfanyl-propanamide

Systemtic Name: (2R)-N-(1-adamantyl)-2-(7-chloranyl-4-oxidanylidene-3-propan-2-yl-quinazolin-2-yl)sulfanyl-propanamide Openeye Name: (2R)-N-(1-adamantyl)-2-(7-chloro-3-isopropyl-4-oxo-quinazolin-2-yl)sulfanyl-propanamide CAS Name: (2R)-N-(1-adamantyl)-2-[(7-chloro-4-oxo-3-propan-2-yl-2-quinazolinyl)thio]propanamide IUPAC Name: (2R)-N-(1-adamantyl)-2-(7-chloro-4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylpropanamide Traditional Name: (2R)-N-(1-adamantyl)-2-[(7-chloro-3-isopropyl-4-keto-quinazolin-2-yl)thio]propionamide Formula: C24H30ClN3O2S MolecularWeight: 460.0319

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=O)C2=C(C=C(C=C2)Cl)N=C1SC(C)C(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C[C@H](C(=O)NC12CC3CC(C1)CC(C3)C2)SC4=NC5=C(C=CC(=C5)Cl)C(=O)N4C(C)C

InChI

InChI=1S/C24H30ClN3O2S/c1-13(2)28-22(30)19-5-4-18(25)9-20(19)26-23(28)31-14(3)21(29)27-24-10-15-6-16(11-24)8-17(7-15)12-24/h4-5,9,13-17H,6-8,10-12H2,1-3H3,(H,27,29)/t14-,15?,16?,17?,24?/m1/s1