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

Systemtic Name: N-cyclohexyl-2-[4-[(4-fluorophenyl)amino]quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-cyclohexyl-2-[4-(4-fluoroanilino)quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-cyclohexyl-2-[[4-(4-fluoroanilino)-2-quinazolinyl]thio]acetamide IUPAC Name: N-cyclohexyl-2-[4-(4-fluoroanilino)quinazolin-2-yl]sulfanylacetamide Traditional Name: N-cyclohexyl-2-[[4-(4-fluoroanilino)quinazolin-2-yl]thio]acetamide Formula: C22H23FN4OS MolecularWeight: 410.507623

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)CSC2=NC3=CC=CC=C3C(=N2)NC4=CC=C(C=C4)F

Isomeric SMILES

C1CCC(CC1)NC(=O)CSC2=NC3=CC=CC=C3C(=N2)NC4=CC=C(C=C4)F

InChI

InChI=1S/C22H23FN4OS/c23-15-10-12-17(13-11-15)25-21-18-8-4-5-9-19(18)26-22(27-21)29-14-20(28)24-16-6-2-1-3-7-16/h4-5,8-13,16H,1-3,6-7,14H2,(H,24,28)(H,25,26,27)