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

Systemtic Name: N-(2-methyl-3-nitro-phenyl)-2-[3-(4-methylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-propanamide Openeye Name: N-(2-methyl-3-nitro-phenyl)-2-[4-oxo-3-(p-tolyl)quinazolin-2-yl]sulfanyl-propanamide CAS Name: N-(2-methyl-3-nitrophenyl)-2-[[3-(4-methylphenyl)-4-oxo-2-quinazolinyl]thio]propanamide IUPAC Name: N-(2-methyl-3-nitrophenyl)-2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide Traditional Name: 2-[[4-keto-3-(p-tolyl)quinazolin-2-yl]thio]-N-(2-methyl-3-nitro-phenyl)propionamide Formula: C25H22N4O4S MolecularWeight: 474.53158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SC(C)C(=O)NC4=C(C(=CC=C4)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SC(C)C(=O)NC4=C(C(=CC=C4)[N+](=O)[O-])C

InChI

InChI=1S/C25H22N4O4S/c1-15-11-13-18(14-12-15)28-24(31)19-7-4-5-8-21(19)27-25(28)34-17(3)23(30)26-20-9-6-10-22(16(20)2)29(32)33/h4-14,17H,1-3H3,(H,26,30)