N-(4-methyl-2-nitro-phenyl)-2-[3-[(4-methylphenyl)methyl]-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(4-methyl-2-nitro-phenyl)-2-[3-[(4-methylphenyl)methyl]-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(4-methyl-2-nitro-phenyl)-2-[4-oxo-3-(p-tolylmethyl)quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-(4-methyl-2-nitrophenyl)-2-[[3-[(4-methylphenyl)methyl]-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-(4-methyl-2-nitrophenyl)-2-[3-[(4-methylphenyl)methyl]-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: 2-[[4-keto-3-(4-methylbenzyl)quinazolin-2-yl]thio]-N-(4-methyl-2-nitro-phenyl)acetamide Formula: C25H22N4O4S MolecularWeight: 474.53158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=C(C=C(C=C4)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=C(C=C(C=C4)C)[N+](=O)[O-]

InChI

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