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

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

Isomeric SMILES

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

InChI

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