N-(1-adamantyl)-2-[7-chloranyl-3-(2-methoxyethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-propanamide

Systemtic Name: N-(1-adamantyl)-2-[7-chloranyl-3-(2-methoxyethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-propanamide Openeye Name: N-(1-adamantyl)-2-[7-chloro-3-(2-methoxyethyl)-4-oxo-quinazolin-2-yl]sulfanyl-propanamide CAS Name: N-(1-adamantyl)-2-[[7-chloro-3-(2-methoxyethyl)-4-oxo-2-quinazolinyl]thio]propanamide IUPAC Name: N-(1-adamantyl)-2-[7-chloro-3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide Traditional Name: N-(1-adamantyl)-2-[[7-chloro-4-keto-3-(2-methoxyethyl)quinazolin-2-yl]thio]propionamide Formula: C24H30ClN3O3S MolecularWeight: 476.0313

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC12CC3CC(C1)CC(C3)C2)SC4=NC5=C(C=CC(=C5)Cl)C(=O)N4CCOC

Isomeric SMILES

CC(C(=O)NC12CC3CC(C1)CC(C3)C2)SC4=NC5=C(C=CC(=C5)Cl)C(=O)N4CCOC

InChI

InChI=1S/C24H30ClN3O3S/c1-14(21(29)27-24-11-15-7-16(12-24)9-17(8-15)13-24)32-23-26-20-10-18(25)3-4-19(20)22(30)28(23)5-6-31-2/h3-4,10,14-17H,5-9,11-13H2,1-2H3,(H,27,29)