2-[6-ethyl-2-(4-fluorophenyl)quinazolin-4-yl]sulfanyl-N-propyl-ethanamide

Systemtic Name: 2-[6-ethyl-2-(4-fluorophenyl)quinazolin-4-yl]sulfanyl-N-propyl-ethanamide Openeye Name: 2-[6-ethyl-2-(4-fluorophenyl)quinazolin-4-yl]sulfanyl-N-propyl-acetamide CAS Name: 2-[[6-ethyl-2-(4-fluorophenyl)-4-quinazolinyl]thio]-N-propylacetamide IUPAC Name: 2-[6-ethyl-2-(4-fluorophenyl)quinazolin-4-yl]sulfanyl-N-propylacetamide Traditional Name: 2-[[6-ethyl-2-(4-fluorophenyl)quinazolin-4-yl]thio]-N-propyl-acetamide Formula: C21H22FN3OS MolecularWeight: 383.482283

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)CSC1=NC(=NC2=C1C=C(C=C2)CC)C3=CC=C(C=C3)F

Isomeric SMILES

CCCNC(=O)CSC1=NC(=NC2=C1C=C(C=C2)CC)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H22FN3OS/c1-3-11-23-19(26)13-27-21-17-12-14(4-2)5-10-18(17)24-20(25-21)15-6-8-16(22)9-7-15/h5-10,12H,3-4,11,13H2,1-2H3,(H,23,26)