N-(1-adamantyl)-2-[3-(4-nitrophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(1-adamantyl)-2-[3-(4-nitrophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(1-adamantyl)-2-[3-(4-nitrophenyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-(1-adamantyl)-2-[[3-(4-nitrophenyl)-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-(1-adamantyl)-2-[3-(4-nitrophenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-(1-adamantyl)-2-[[4-keto-3-(4-nitrophenyl)quinazolin-2-yl]thio]acetamide Formula: C26H26N4O4S MolecularWeight: 490.57404

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)CSC4=NC5=CC=CC=C5C(=O)N4C6=CC=C(C=C6)[N+](=O)[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)CSC4=NC5=CC=CC=C5C(=O)N4C6=CC=C(C=C6)[N+](=O)[O-]

InChI

InChI=1S/C26H26N4O4S/c31-23(28-26-12-16-9-17(13-26)11-18(10-16)14-26)15-35-25-27-22-4-2-1-3-21(22)24(32)29(25)19-5-7-20(8-6-19)30(33)34/h1-8,16-18H,9-15H2,(H,28,31)