2-[7-chloranyl-4-oxidanylidene-3-(3-propan-2-yloxypropyl)quinazolin-2-yl]sulfanyl-N-(4,5-dimethyl-2-nitro-phenyl)ethanamide

Systemtic Name: 2-[7-chloranyl-4-oxidanylidene-3-(3-propan-2-yloxypropyl)quinazolin-2-yl]sulfanyl-N-(4,5-dimethyl-2-nitro-phenyl)ethanamide Openeye Name: 2-[7-chloro-3-(3-isopropoxypropyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-(4,5-dimethyl-2-nitro-phenyl)acetamide CAS Name: 2-[[7-chloro-4-oxo-3-(3-propan-2-yloxypropyl)-2-quinazolinyl]thio]-N-(4,5-dimethyl-2-nitrophenyl)acetamide IUPAC Name: 2-[7-chloro-4-oxo-3-(3-propan-2-yloxypropyl)quinazolin-2-yl]sulfanyl-N-(4,5-dimethyl-2-nitrophenyl)acetamide Traditional Name: 2-[[7-chloro-3-(3-isopropoxypropyl)-4-keto-quinazolin-2-yl]thio]-N-(4,5-dimethyl-2-nitro-phenyl)acetamide Formula: C24H27ClN4O5S MolecularWeight: 519.01298

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)[N+](=O)[O-])NC(=O)CSC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CCCOC(C)C

Isomeric SMILES

CC1=CC(=C(C=C1C)[N+](=O)[O-])NC(=O)CSC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CCCOC(C)C

InChI

InChI=1S/C24H27ClN4O5S/c1-14(2)34-9-5-8-28-23(31)18-7-6-17(25)12-19(18)27-24(28)35-13-22(30)26-20-10-15(3)16(4)11-21(20)29(32)33/h6-7,10-12,14H,5,8-9,13H2,1-4H3,(H,26,30)