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

Systemtic Name: N-(4-fluoranyl-3-nitro-phenyl)-2-[4-oxidanylidene-3-(3-phenylpropyl)quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(4-fluoro-3-nitro-phenyl)-2-[4-oxo-3-(3-phenylpropyl)quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-(4-fluoro-3-nitrophenyl)-2-[[4-oxo-3-(3-phenylpropyl)-2-quinazolinyl]thio]acetamide IUPAC Name: N-(4-fluoro-3-nitrophenyl)-2-[4-oxo-3-(3-phenylpropyl)quinazolin-2-yl]sulfanylacetamide Traditional Name: N-(4-fluoro-3-nitro-phenyl)-2-[[4-keto-3-(3-phenylpropyl)quinazolin-2-yl]thio]acetamide Formula: C25H21FN4O4S MolecularWeight: 492.522043

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCN2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=CC(=C(C=C4)F)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CCCN2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=CC(=C(C=C4)F)[N+](=O)[O-]

InChI

InChI=1S/C25H21FN4O4S/c26-20-13-12-18(15-22(20)30(33)34)27-23(31)16-35-25-28-21-11-5-4-10-19(21)24(32)29(25)14-6-9-17-7-2-1-3-8-17/h1-5,7-8,10-13,15H,6,9,14,16H2,(H,27,31)