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

Systemtic Name: N-(1-adamantyl)-2-(4-oxidanylidene-3-propan-2-yl-quinazolin-2-yl)sulfanyl-propanamide Openeye Name: N-(1-adamantyl)-2-(3-isopropyl-4-oxo-quinazolin-2-yl)sulfanyl-propanamide CAS Name: N-(1-adamantyl)-2-[(4-oxo-3-propan-2-yl-2-quinazolinyl)thio]propanamide IUPAC Name: N-(1-adamantyl)-2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylpropanamide Traditional Name: N-(1-adamantyl)-2-[(3-isopropyl-4-keto-quinazolin-2-yl)thio]propionamide Formula: C24H31N3O2S MolecularWeight: 425.58684

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H31N3O2S/c1-14(2)27-22(29)19-6-4-5-7-20(19)25-23(27)30-15(3)21(28)26-24-11-16-8-17(12-24)10-18(9-16)13-24/h4-7,14-18H,8-13H2,1-3H3,(H,26,28)