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

Systemtic Name: N-(4,5-dimethyl-2-nitro-phenyl)-2-[3-(3,5-dimethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(4,5-dimethyl-2-nitro-phenyl)-2-[3-(3,5-dimethylphenyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-(4,5-dimethyl-2-nitrophenyl)-2-[[3-(3,5-dimethylphenyl)-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-(4,5-dimethyl-2-nitrophenyl)-2-[3-(3,5-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-(4,5-dimethyl-2-nitro-phenyl)-2-[[3-(3,5-dimethylphenyl)-4-keto-quinazolin-2-yl]thio]acetamide Formula: C26H24N4O4S MolecularWeight: 488.55816

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=C(C=C(C(=C4)C)C)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=CC(=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=C(C=C(C(=C4)C)C)[N+](=O)[O-])C

InChI

InChI=1S/C26H24N4O4S/c1-15-9-16(2)11-19(10-15)29-25(32)20-7-5-6-8-21(20)28-26(29)35-14-24(31)27-22-12-17(3)18(4)13-23(22)30(33)34/h5-13H,14H2,1-4H3,(H,27,31)