3-nitro-4-[[4-oxidanylidene-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanylmethyl]benzamide

Systemtic Name: 3-nitro-4-[[4-oxidanylidene-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanylmethyl]benzamide Openeye Name: 4-[[3-(2-isopropylphenyl)-4-oxo-quinazolin-2-yl]sulfanylmethyl]-3-nitro-benzamide CAS Name: 3-nitro-4-[[[4-oxo-3-(2-propan-2-ylphenyl)-2-quinazolinyl]thio]methyl]benzamide IUPAC Name: 3-nitro-4-[[4-oxo-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanylmethyl]benzamide Traditional Name: 4-[[(4-keto-3-o-cumenyl-quinazolin-2-yl)thio]methyl]-3-nitro-benzamide Formula: C25H22N4O4S MolecularWeight: 474.53158

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1N2C(=O)C3=CC=CC=C3N=C2SCC4=C(C=C(C=C4)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=CC=CC=C1N2C(=O)C3=CC=CC=C3N=C2SCC4=C(C=C(C=C4)C(=O)N)[N+](=O)[O-]

InChI

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