2-[3-(3-chlorophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(4-fluoranyl-3-nitro-phenyl)propanamide

Systemtic Name: 2-[3-(3-chlorophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(4-fluoranyl-3-nitro-phenyl)propanamide Openeye Name: 2-[3-(3-chlorophenyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-(4-fluoro-3-nitro-phenyl)propanamide CAS Name: 2-[[3-(3-chlorophenyl)-4-oxo-2-quinazolinyl]thio]-N-(4-fluoro-3-nitrophenyl)propanamide IUPAC Name: 2-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(4-fluoro-3-nitrophenyl)propanamide Traditional Name: 2-[[3-(3-chlorophenyl)-4-keto-quinazolin-2-yl]thio]-N-(4-fluoro-3-nitro-phenyl)propionamide Formula: C23H16ClFN4O4S MolecularWeight: 498.913943

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=C(C=C1)F)[N+](=O)[O-])SC2=NC3=CC=CC=C3C(=O)N2C4=CC(=CC=C4)Cl

Isomeric SMILES

CC(C(=O)NC1=CC(=C(C=C1)F)[N+](=O)[O-])SC2=NC3=CC=CC=C3C(=O)N2C4=CC(=CC=C4)Cl

InChI

InChI=1S/C23H16ClFN4O4S/c1-13(21(30)26-15-9-10-18(25)20(12-15)29(32)33)34-23-27-19-8-3-2-7-17(19)22(31)28(23)16-6-4-5-14(24)11-16/h2-13H,1H3,(H,26,30)