N-(4-butan-2-ylphenyl)-2-[3-(4-fluorophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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