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

Systemtic Name: 2-[3-(2,4-dimethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(2-methyl-3-nitro-phenyl)propanamide Openeye Name: 2-[3-(2,4-dimethylphenyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-(2-methyl-3-nitro-phenyl)propanamide CAS Name: 2-[[3-(2,4-dimethylphenyl)-4-oxo-2-quinazolinyl]thio]-N-(2-methyl-3-nitrophenyl)propanamide IUPAC Name: 2-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-methyl-3-nitrophenyl)propanamide Traditional Name: 2-[[3-(2,4-dimethylphenyl)-4-keto-quinazolin-2-yl]thio]-N-(2-methyl-3-nitro-phenyl)propionamide Formula: C26H24N4O4S MolecularWeight: 488.55816

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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)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)C

InChI

InChI=1S/C26H24N4O4S/c1-15-12-13-22(16(2)14-15)29-25(32)19-8-5-6-9-21(19)28-26(29)35-18(4)24(31)27-20-10-7-11-23(17(20)3)30(33)34/h5-14,18H,1-4H3,(H,27,31)