2-[6-ethyl-2-(4-fluorophenyl)quinazolin-4-yl]sulfanyl-N-(3-methylbutyl)ethanamide

Systemtic Name: 2-[6-ethyl-2-(4-fluorophenyl)quinazolin-4-yl]sulfanyl-N-(3-methylbutyl)ethanamide Openeye Name: 2-[6-ethyl-2-(4-fluorophenyl)quinazolin-4-yl]sulfanyl-N-isopentyl-acetamide CAS Name: 2-[[6-ethyl-2-(4-fluorophenyl)-4-quinazolinyl]thio]-N-(3-methylbutyl)acetamide IUPAC Name: 2-[6-ethyl-2-(4-fluorophenyl)quinazolin-4-yl]sulfanyl-N-(3-methylbutyl)acetamide Traditional Name: 2-[[6-ethyl-2-(4-fluorophenyl)quinazolin-4-yl]thio]-N-isoamyl-acetamide Formula: C23H26FN3OS MolecularWeight: 411.535443

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26FN3OS/c1-4-16-5-10-20-19(13-16)23(29-14-21(28)25-12-11-15(2)3)27-22(26-20)17-6-8-18(24)9-7-17/h5-10,13,15H,4,11-12,14H2,1-3H3,(H,25,28)