2-[3-(3,5-dimethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(2-nitrophenyl)propanamide

Systemtic Name: 2-[3-(3,5-dimethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(2-nitrophenyl)propanamide Openeye Name: 2-[3-(3,5-dimethylphenyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-(2-nitrophenyl)propanamide CAS Name: 2-[[3-(3,5-dimethylphenyl)-4-oxo-2-quinazolinyl]thio]-N-(2-nitrophenyl)propanamide IUPAC Name: 2-[3-(3,5-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-nitrophenyl)propanamide Traditional Name: 2-[[3-(3,5-dimethylphenyl)-4-keto-quinazolin-2-yl]thio]-N-(2-nitrophenyl)propionamide Formula: C25H22N4O4S MolecularWeight: 474.53158

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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