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

Systemtic Name: N-(2-methyl-3-nitro-phenyl)-2-[4-oxidanylidene-3-(4-propan-2-ylphenyl)quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: 2-[3-(4-isopropylphenyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-(2-methyl-3-nitro-phenyl)acetamide CAS Name: N-(2-methyl-3-nitrophenyl)-2-[[4-oxo-3-(4-propan-2-ylphenyl)-2-quinazolinyl]thio]acetamide IUPAC Name: N-(2-methyl-3-nitrophenyl)-2-[4-oxo-3-(4-propan-2-ylphenyl)quinazolin-2-yl]sulfanylacetamide Traditional Name: 2-[(4-keto-3-p-cumenyl-quinazolin-2-yl)thio]-N-(2-methyl-3-nitro-phenyl)acetamide Formula: C26H24N4O4S MolecularWeight: 488.55816

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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=C(C=C4)C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C26H24N4O4S/c1-16(2)18-11-13-19(14-12-18)29-25(32)20-7-4-5-8-22(20)28-26(29)35-15-24(31)27-21-9-6-10-23(17(21)3)30(33)34/h4-14,16H,15H2,1-3H3,(H,27,31)