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

Systemtic Name: N-[1-(1-adamantyl)ethyl]-6-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide Openeye Name: N-[1-(1-adamantyl)ethyl]-6-(4-oxo-2-thioxo-1H-quinazolin-3-yl)hexanamide CAS Name: N-[1-(1-adamantyl)ethyl]-6-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide IUPAC Name: N-[1-(1-adamantyl)ethyl]-6-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide Traditional Name: N-[1-(1-adamantyl)ethyl]-6-(4-keto-2-thioxo-1H-quinazolin-3-yl)hexanamide Formula: C26H35N3O2S MolecularWeight: 453.64

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Descriptors Computed from Structure

Canonical SMILES:

CC(C12CC3CC(C1)CC(C3)C2)NC(=O)CCCCCN4C(=O)C5=CC=CC=C5NC4=S

Isomeric SMILES

CC(C12CC3CC(C1)CC(C3)C2)NC(=O)CCCCCN4C(=O)C5=CC=CC=C5NC4=S

InChI

InChI=1S/C26H35N3O2S/c1-17(26-14-18-11-19(15-26)13-20(12-18)16-26)27-23(30)9-3-2-6-10-29-24(31)21-7-4-5-8-22(21)28-25(29)32/h4-5,7-8,17-20H,2-3,6,9-16H2,1H3,(H,27,30)(H,28,32)