2-[3-[2,4-bis(fluoranyl)phenyl]-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-pentan-3-yl-ethanamide

Systemtic Name: 2-[3-[2,4-bis(fluoranyl)phenyl]-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-pentan-3-yl-ethanamide Openeye Name: 2-[3-(2,4-difluorophenyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-(1-ethylpropyl)acetamide CAS Name: 2-[[3-(2,4-difluorophenyl)-4-oxo-2-quinazolinyl]thio]-N-pentan-3-ylacetamide IUPAC Name: 2-[3-(2,4-difluorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-pentan-3-ylacetamide Traditional Name: 2-[[3-(2,4-difluorophenyl)-4-keto-quinazolin-2-yl]thio]-N-(1-ethylpropyl)acetamide Formula: C21H21F2N3O2S MolecularWeight: 417.472146

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC(=O)CSC1=NC2=CC=CC=C2C(=O)N1C3=C(C=C(C=C3)F)F

Isomeric SMILES

CCC(CC)NC(=O)CSC1=NC2=CC=CC=C2C(=O)N1C3=C(C=C(C=C3)F)F

InChI

InChI=1S/C21H21F2N3O2S/c1-3-14(4-2)24-19(27)12-29-21-25-17-8-6-5-7-15(17)20(28)26(21)18-10-9-13(22)11-16(18)23/h5-11,14H,3-4,12H2,1-2H3,(H,24,27)