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

Systemtic Name: N-(4,5-dimethyl-2-nitro-phenyl)-2-[4-oxidanylidene-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(4,5-dimethyl-2-nitro-phenyl)-2-[3-(2-isopropylphenyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-(4,5-dimethyl-2-nitrophenyl)-2-[[4-oxo-3-(2-propan-2-ylphenyl)-2-quinazolinyl]thio]acetamide IUPAC Name: N-(4,5-dimethyl-2-nitrophenyl)-2-[4-oxo-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanylacetamide Traditional Name: N-(4,5-dimethyl-2-nitro-phenyl)-2-[(4-keto-3-o-cumenyl-quinazolin-2-yl)thio]acetamide Formula: C27H26N4O4S MolecularWeight: 502.58474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)[N+](=O)[O-])NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=CC=C4C(C)C

Isomeric SMILES

CC1=CC(=C(C=C1C)[N+](=O)[O-])NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=CC=C4C(C)C

InChI

InChI=1S/C27H26N4O4S/c1-16(2)19-9-6-8-12-23(19)30-26(33)20-10-5-7-11-21(20)29-27(30)36-15-25(32)28-22-13-17(3)18(4)14-24(22)31(34)35/h5-14,16H,15H2,1-4H3,(H,28,32)