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

Systemtic Name: N-(2-chloranyl-4-nitro-phenyl)-2-[4-oxidanylidene-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanyl-2-phenyl-ethanamide Openeye Name: N-(2-chloro-4-nitro-phenyl)-2-[3-(2-isopropylphenyl)-4-oxo-quinazolin-2-yl]sulfanyl-2-phenyl-acetamide CAS Name: N-(2-chloro-4-nitrophenyl)-2-[[4-oxo-3-(2-propan-2-ylphenyl)-2-quinazolinyl]thio]-2-phenylacetamide IUPAC Name: N-(2-chloro-4-nitrophenyl)-2-[4-oxo-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanyl-2-phenylacetamide Traditional Name: N-(2-chloro-4-nitro-phenyl)-2-[(4-keto-3-o-cumenyl-quinazolin-2-yl)thio]-2-phenyl-acetamide Formula: C31H25ClN4O4S MolecularWeight: 585.0726

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1N2C(=O)C3=CC=CC=C3N=C2SC(C4=CC=CC=C4)C(=O)NC5=C(C=C(C=C5)[N+](=O)[O-])Cl

Isomeric SMILES

CC(C)C1=CC=CC=C1N2C(=O)C3=CC=CC=C3N=C2SC(C4=CC=CC=C4)C(=O)NC5=C(C=C(C=C5)[N+](=O)[O-])Cl

InChI

InChI=1S/C31H25ClN4O4S/c1-19(2)22-12-7-9-15-27(22)35-30(38)23-13-6-8-14-25(23)34-31(35)41-28(20-10-4-3-5-11-20)29(37)33-26-17-16-21(36(39)40)18-24(26)32/h3-19,28H,1-2H3,(H,33,37)