N-tert-butyl-2-[2-(4-fluorophenyl)-6-methyl-quinazolin-4-yl]sulfanyl-ethanamide

Systemtic Name: N-tert-butyl-2-[2-(4-fluorophenyl)-6-methyl-quinazolin-4-yl]sulfanyl-ethanamide Openeye Name: N-tert-butyl-2-[2-(4-fluorophenyl)-6-methyl-quinazolin-4-yl]sulfanyl-acetamide CAS Name: N-tert-butyl-2-[[2-(4-fluorophenyl)-6-methyl-4-quinazolinyl]thio]acetamide IUPAC Name: N-tert-butyl-2-[2-(4-fluorophenyl)-6-methylquinazolin-4-yl]sulfanylacetamide Traditional Name: N-tert-butyl-2-[[2-(4-fluorophenyl)-6-methyl-quinazolin-4-yl]thio]acetamide Formula: C21H22FN3OS MolecularWeight: 383.482283

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(N=C2SCC(=O)NC(C)(C)C)C3=CC=C(C=C3)F

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(N=C2SCC(=O)NC(C)(C)C)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H22FN3OS/c1-13-5-10-17-16(11-13)20(27-12-18(26)25-21(2,3)4)24-19(23-17)14-6-8-15(22)9-7-14/h5-11H,12H2,1-4H3,(H,25,26)