N-(2-nitrophenyl)-2-[4-oxidanylidene-3-(4-propan-2-ylphenyl)quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(2-nitrophenyl)-2-[4-oxidanylidene-3-(4-propan-2-ylphenyl)quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: 2-[3-(4-isopropylphenyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-(2-nitrophenyl)acetamide CAS Name: N-(2-nitrophenyl)-2-[[4-oxo-3-(4-propan-2-ylphenyl)-2-quinazolinyl]thio]acetamide IUPAC Name: N-(2-nitrophenyl)-2-[4-oxo-3-(4-propan-2-ylphenyl)quinazolin-2-yl]sulfanylacetamide Traditional Name: 2-[(4-keto-3-p-cumenyl-quinazolin-2-yl)thio]-N-(2-nitrophenyl)acetamide Formula: C25H22N4O4S MolecularWeight: 474.53158

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C25H22N4O4S/c1-16(2)17-11-13-18(14-12-17)28-24(31)19-7-3-4-8-20(19)27-25(28)34-15-23(30)26-21-9-5-6-10-22(21)29(32)33/h3-14,16H,15H2,1-2H3,(H,26,30)