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

Systemtic Name: N-(1-adamantyl)-2-(4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-propanamide Openeye Name: N-(1-adamantyl)-2-(3-allyl-4-oxo-quinazolin-2-yl)sulfanyl-propanamide CAS Name: N-(1-adamantyl)-2-[(4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]propanamide IUPAC Name: N-(1-adamantyl)-2-(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylpropanamide Traditional Name: N-(1-adamantyl)-2-[(3-allyl-4-keto-quinazolin-2-yl)thio]propionamide Formula: C24H29N3O2S MolecularWeight: 423.57096

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC12CC3CC(C1)CC(C3)C2)SC4=NC5=CC=CC=C5C(=O)N4CC=C

Isomeric SMILES

CC(C(=O)NC12CC3CC(C1)CC(C3)C2)SC4=NC5=CC=CC=C5C(=O)N4CC=C

InChI

InChI=1S/C24H29N3O2S/c1-3-8-27-22(29)19-6-4-5-7-20(19)25-23(27)30-15(2)21(28)26-24-12-16-9-17(13-24)11-18(10-16)14-24/h3-7,15-18H,1,8-14H2,2H3,(H,26,28)