N-[1-(1-adamantyl)ethyl]-4-(6-bromanyl-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)butanamide

Systemtic Name: N-[1-(1-adamantyl)ethyl]-4-(6-bromanyl-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)butanamide Openeye Name: N-[1-(1-adamantyl)ethyl]-4-(6-bromo-4-oxo-2-thioxo-1H-quinazolin-3-yl)butanamide CAS Name: N-[1-(1-adamantyl)ethyl]-4-(6-bromo-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)butanamide IUPAC Name: N-[1-(1-adamantyl)ethyl]-4-(6-bromo-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)butanamide Traditional Name: N-[1-(1-adamantyl)ethyl]-4-(6-bromo-4-keto-2-thioxo-1H-quinazolin-3-yl)butyramide Formula: C24H30BrN3O2S MolecularWeight: 504.4829

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Descriptors Computed from Structure

Canonical SMILES:

CC(C12CC3CC(C1)CC(C3)C2)NC(=O)CCCN4C(=O)C5=C(C=CC(=C5)Br)NC4=S

Isomeric SMILES

CC(C12CC3CC(C1)CC(C3)C2)NC(=O)CCCN4C(=O)C5=C(C=CC(=C5)Br)NC4=S

InChI

InChI=1S/C24H30BrN3O2S/c1-14(24-11-15-7-16(12-24)9-17(8-15)13-24)26-21(29)3-2-6-28-22(30)19-10-18(25)4-5-20(19)27-23(28)31/h4-5,10,14-17H,2-3,6-9,11-13H2,1H3,(H,26,29)(H,27,31)