N-(1-cyanocyclohexyl)-2-[3-(2-fluorophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(1-cyanocyclohexyl)-2-[3-(2-fluorophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(1-cyanocyclohexyl)-2-[3-(2-fluorophenyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-(1-cyanocyclohexyl)-2-[[3-(2-fluorophenyl)-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-(1-cyanocyclohexyl)-2-[3-(2-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-(1-cyanocyclohexyl)-2-[[3-(2-fluorophenyl)-4-keto-quinazolin-2-yl]thio]acetamide Formula: C23H21FN4O2S MolecularWeight: 436.501843

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C#N)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=CC=C4F

Isomeric SMILES

C1CCC(CC1)(C#N)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=CC=C4F

InChI

InChI=1S/C23H21FN4O2S/c24-17-9-3-5-11-19(17)28-21(30)16-8-2-4-10-18(16)26-22(28)31-14-20(29)27-23(15-25)12-6-1-7-13-23/h2-5,8-11H,1,6-7,12-14H2,(H,27,29)