N-butyl-2-[4-[(4-fluorophenyl)amino]quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-butyl-2-[4-[(4-fluorophenyl)amino]quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-butyl-2-[4-(4-fluoroanilino)quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-butyl-2-[[4-(4-fluoroanilino)-2-quinazolinyl]thio]acetamide IUPAC Name: N-butyl-2-[4-(4-fluoroanilino)quinazolin-2-yl]sulfanylacetamide Traditional Name: N-butyl-2-[[4-(4-fluoroanilino)quinazolin-2-yl]thio]acetamide Formula: C20H21FN4OS MolecularWeight: 384.470343

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21FN4OS/c1-2-3-12-22-18(26)13-27-20-24-17-7-5-4-6-16(17)19(25-20)23-15-10-8-14(21)9-11-15/h4-11H,2-3,12-13H2,1H3,(H,22,26)(H,23,24,25)