2-[3-(3,5-dimethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(2-methyl-6-nitro-phenyl)ethanamide

Systemtic Name: 2-[3-(3,5-dimethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(2-methyl-6-nitro-phenyl)ethanamide Openeye Name: 2-[3-(3,5-dimethylphenyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-(2-methyl-6-nitro-phenyl)acetamide CAS Name: 2-[[3-(3,5-dimethylphenyl)-4-oxo-2-quinazolinyl]thio]-N-(2-methyl-6-nitrophenyl)acetamide IUPAC Name: 2-[3-(3,5-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-methyl-6-nitrophenyl)acetamide Traditional Name: 2-[[3-(3,5-dimethylphenyl)-4-keto-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=C(C(=CC=C1)[N+](=O)[O-])NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC(=CC(=C4)C)C

Isomeric SMILES

CC1=C(C(=CC=C1)[N+](=O)[O-])NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC(=CC(=C4)C)C

InChI

InChI=1S/C25H22N4O4S/c1-15-11-16(2)13-18(12-15)28-24(31)19-8-4-5-9-20(19)26-25(28)34-14-22(30)27-23-17(3)7-6-10-21(23)29(32)33/h4-13H,14H2,1-3H3,(H,27,30)