N-(2-methyl-6-nitro-phenyl)-2-[3-[(4-methylphenyl)methyl]-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(2-methyl-6-nitro-phenyl)-2-[3-[(4-methylphenyl)methyl]-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(2-methyl-6-nitro-phenyl)-2-[4-oxo-3-(p-tolylmethyl)quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-(2-methyl-6-nitrophenyl)-2-[[3-[(4-methylphenyl)methyl]-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-(2-methyl-6-nitrophenyl)-2-[3-[(4-methylphenyl)methyl]-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: 2-[[4-keto-3-(4-methylbenzyl)quinazolin-2-yl]thio]-N-(2-methyl-6-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=CC=C4[N+](=O)[O-])C

Isomeric SMILES

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

InChI

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