N-(1-adamantyl)-4-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)benzamide

Systemtic Name: N-(1-adamantyl)-4-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)benzamide Openeye Name: N-(1-adamantyl)-4-(4-oxo-2-thioxo-1H-quinazolin-3-yl)benzamide CAS Name: N-(1-adamantyl)-4-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)benzamide IUPAC Name: N-(1-adamantyl)-4-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)benzamide Traditional Name: N-(1-adamantyl)-4-(4-keto-2-thioxo-1H-quinazolin-3-yl)benzamide Formula: C25H25N3O2S MolecularWeight: 431.5499

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)C4=CC=C(C=C4)N5C(=O)C6=CC=CC=C6NC5=S

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)C4=CC=C(C=C4)N5C(=O)C6=CC=CC=C6NC5=S

InChI

InChI=1S/C25H25N3O2S/c29-22(27-25-12-15-9-16(13-25)11-17(10-15)14-25)18-5-7-19(8-6-18)28-23(30)20-3-1-2-4-21(20)26-24(28)31/h1-8,15-17H,9-14H2,(H,26,31)(H,27,29)