2-[8-ethyl-2-(4-fluorophenyl)quinazolin-4-yl]sulfanyl-N-propyl-ethanamide

Systemtic Name: 2-[8-ethyl-2-(4-fluorophenyl)quinazolin-4-yl]sulfanyl-N-propyl-ethanamide Openeye Name: 2-[8-ethyl-2-(4-fluorophenyl)quinazolin-4-yl]sulfanyl-N-propyl-acetamide CAS Name: 2-[[8-ethyl-2-(4-fluorophenyl)-4-quinazolinyl]thio]-N-propylacetamide IUPAC Name: 2-[8-ethyl-2-(4-fluorophenyl)quinazolin-4-yl]sulfanyl-N-propylacetamide Traditional Name: 2-[[8-ethyl-2-(4-fluorophenyl)quinazolin-4-yl]thio]-N-propyl-acetamide Formula: C21H22FN3OS MolecularWeight: 383.482283

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)CSC1=NC(=NC2=C1C=CC=C2CC)C3=CC=C(C=C3)F

Isomeric SMILES

CCCNC(=O)CSC1=NC(=NC2=C1C=CC=C2CC)C3=CC=C(C=C3)F

InChI

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