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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N=C(N=C2SCC(=O)NC(C)C)C3=CC=C(C=C3)F

Isomeric SMILES

CCC1=CC2=C(C=C1)N=C(N=C2SCC(=O)NC(C)C)C3=CC=C(C=C3)F

InChI

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