N-tert-butyl-2-[3-(4-nitrophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-tert-butyl-2-[3-(4-nitrophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-tert-butyl-2-[3-(4-nitrophenyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-tert-butyl-2-[[3-(4-nitrophenyl)-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-tert-butyl-2-[3-(4-nitrophenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-tert-butyl-2-[[4-keto-3-(4-nitrophenyl)quinazolin-2-yl]thio]acetamide Formula: C20H20N4O4S MolecularWeight: 412.4622

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)CSC1=NC2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)NC(=O)CSC1=NC2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H20N4O4S/c1-20(2,3)22-17(25)12-29-19-21-16-7-5-4-6-15(16)18(26)23(19)13-8-10-14(11-9-13)24(27)28/h4-11H,12H2,1-3H3,(H,22,25)