N-tert-butyl-2-[[3-(2-fluorophenyl)-4-oxidanylidene-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]ethanamide

Systemtic Name: N-tert-butyl-2-[[3-(2-fluorophenyl)-4-oxidanylidene-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]ethanamide Openeye Name: N-tert-butyl-2-[[3-(2-fluorophenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetamide CAS Name: N-tert-butyl-2-[[3-(2-fluorophenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]thio]acetamide IUPAC Name: N-tert-butyl-2-[[3-(2-fluorophenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetamide Traditional Name: N-tert-butyl-2-[[3-(2-fluorophenyl)-4-keto-5H-pyrimid[5,4-b]indol-2-yl]thio]acetamide Formula: C22H21FN4O2S MolecularWeight: 424.491143

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)CSC1=NC2=C(C(=O)N1C3=CC=CC=C3F)NC4=CC=CC=C42

Isomeric SMILES

CC(C)(C)NC(=O)CSC1=NC2=C(C(=O)N1C3=CC=CC=C3F)NC4=CC=CC=C42

InChI

InChI=1S/C22H21FN4O2S/c1-22(2,3)26-17(28)12-30-21-25-18-13-8-4-6-10-15(13)24-19(18)20(29)27(21)16-11-7-5-9-14(16)23/h4-11,24H,12H2,1-3H3,(H,26,28)