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

Systemtic Name: 2-[6-ethyl-2-(4-fluorophenyl)quinazolin-4-yl]sulfanyl-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-[6-ethyl-2-(4-fluorophenyl)quinazolin-4-yl]sulfanyl-acetamide CAS Name: 2-[[6-ethyl-2-(4-fluorophenyl)-4-quinazolinyl]thio]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[6-ethyl-2-(4-fluorophenyl)quinazolin-4-yl]sulfanylacetamide Traditional Name: N-benzyl-2-[[6-ethyl-2-(4-fluorophenyl)quinazolin-4-yl]thio]acetamide Formula: C25H22FN3OS MolecularWeight: 431.525083

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N=C(N=C2SCC(=O)NCC3=CC=CC=C3)C4=CC=C(C=C4)F

Isomeric SMILES

CCC1=CC2=C(C=C1)N=C(N=C2SCC(=O)NCC3=CC=CC=C3)C4=CC=C(C=C4)F

InChI

InChI=1S/C25H22FN3OS/c1-2-17-8-13-22-21(14-17)25(29-24(28-22)19-9-11-20(26)12-10-19)31-16-23(30)27-15-18-6-4-3-5-7-18/h3-14H,2,15-16H2,1H3,(H,27,30)