N-(2-tert-butylphenyl)-2-[3-(4-fluorophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(2-tert-butylphenyl)-2-[3-(4-fluorophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(2-tert-butylphenyl)-2-[3-(4-fluorophenyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-(2-tert-butylphenyl)-2-[[3-(4-fluorophenyl)-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-(2-tert-butylphenyl)-2-[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-(2-tert-butylphenyl)-2-[[3-(4-fluorophenyl)-4-keto-quinazolin-2-yl]thio]acetamide Formula: C26H24FN3O2S MolecularWeight: 461.551063

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=CC=C1NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)F

Isomeric SMILES

CC(C)(C)C1=CC=CC=C1NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)F

InChI

InChI=1S/C26H24FN3O2S/c1-26(2,3)20-9-5-7-11-22(20)28-23(31)16-33-25-29-21-10-6-4-8-19(21)24(32)30(25)18-14-12-17(27)13-15-18/h4-15H,16H2,1-3H3,(H,28,31)