2-[4-[[3,4-bis(fluoranyl)phenyl]amino]quinazolin-2-yl]sulfanyl-N-butyl-ethanamide

Systemtic Name: 2-[4-[[3,4-bis(fluoranyl)phenyl]amino]quinazolin-2-yl]sulfanyl-N-butyl-ethanamide Openeye Name: N-butyl-2-[4-(3,4-difluoroanilino)quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-butyl-2-[[4-(3,4-difluoroanilino)-2-quinazolinyl]thio]acetamide IUPAC Name: N-butyl-2-[4-(3,4-difluoroanilino)quinazolin-2-yl]sulfanylacetamide Traditional Name: N-butyl-2-[[4-(3,4-difluoroanilino)quinazolin-2-yl]thio]acetamide Formula: C20H20F2N4OS MolecularWeight: 402.460806

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)CSC1=NC2=CC=CC=C2C(=N1)NC3=CC(=C(C=C3)F)F

Isomeric SMILES

CCCCNC(=O)CSC1=NC2=CC=CC=C2C(=N1)NC3=CC(=C(C=C3)F)F

InChI

InChI=1S/C20H20F2N4OS/c1-2-3-10-23-18(27)12-28-20-25-17-7-5-4-6-14(17)19(26-20)24-13-8-9-15(21)16(22)11-13/h4-9,11H,2-3,10,12H2,1H3,(H,23,27)(H,24,25,26)