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

Systemtic Name: N-(1-cyanocyclohexyl)-2-[3-(2-fluorophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-propanamide Openeye Name: N-(1-cyanocyclohexyl)-2-[3-(2-fluorophenyl)-4-oxo-quinazolin-2-yl]sulfanyl-propanamide CAS Name: N-(1-cyanocyclohexyl)-2-[[3-(2-fluorophenyl)-4-oxo-2-quinazolinyl]thio]propanamide IUPAC Name: N-(1-cyanocyclohexyl)-2-[3-(2-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide Traditional Name: N-(1-cyanocyclohexyl)-2-[[3-(2-fluorophenyl)-4-keto-quinazolin-2-yl]thio]propionamide Formula: C24H23FN4O2S MolecularWeight: 450.528423

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1(CCCCC1)C#N)SC2=NC3=CC=CC=C3C(=O)N2C4=CC=CC=C4F

Isomeric SMILES

CC(C(=O)NC1(CCCCC1)C#N)SC2=NC3=CC=CC=C3C(=O)N2C4=CC=CC=C4F

InChI

InChI=1S/C24H23FN4O2S/c1-16(21(30)28-24(15-26)13-7-2-8-14-24)32-23-27-19-11-5-3-9-17(19)22(31)29(23)20-12-6-4-10-18(20)25/h3-6,9-12,16H,2,7-8,13-14H2,1H3,(H,28,30)