(2R)-N-(1-adamantylcarbamoyl)-2-(4-oxidanylidene-3-propan-2-yl-quinazolin-2-yl)sulfanyl-propanamide

Systemtic Name: (2R)-N-(1-adamantylcarbamoyl)-2-(4-oxidanylidene-3-propan-2-yl-quinazolin-2-yl)sulfanyl-propanamide Openeye Name: (2R)-N-(1-adamantylcarbamoyl)-2-(3-isopropyl-4-oxo-quinazolin-2-yl)sulfanyl-propanamide CAS Name: (2R)-N-[(1-adamantylamino)-oxomethyl]-2-[(4-oxo-3-propan-2-yl-2-quinazolinyl)thio]propanamide IUPAC Name: (2R)-N-(1-adamantylcarbamoyl)-2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylpropanamide Traditional Name: (2R)-N-(1-adamantylcarbamoyl)-2-[(3-isopropyl-4-keto-quinazolin-2-yl)thio]propionamide Formula: C25H32N4O3S MolecularWeight: 468.61158

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=O)C2=CC=CC=C2N=C1SC(C)C(=O)NC(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C[C@H](C(=O)NC(=O)NC12CC3CC(C1)CC(C3)C2)SC4=NC5=CC=CC=C5C(=O)N4C(C)C

InChI

InChI=1S/C25H32N4O3S/c1-14(2)29-22(31)19-6-4-5-7-20(19)26-24(29)33-15(3)21(30)27-23(32)28-25-11-16-8-17(12-25)10-18(9-16)13-25/h4-7,14-18H,8-13H2,1-3H3,(H2,27,28,30,32)/t15-,16?,17?,18?,25?/m1/s1