6-[2-[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]hexanamide

Systemtic Name: 6-[2-[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]hexanamide Openeye Name: 6-[2-[2-(4-fluoroanilino)-2-oxo-ethyl]sulfanyl-4-oxo-quinazolin-3-yl]hexanamide CAS Name: 6-[2-[[2-(4-fluoroanilino)-2-oxoethyl]thio]-4-oxo-3-quinazolinyl]hexanamide IUPAC Name: 6-[2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]hexanamide Traditional Name: 6-[2-[[2-(4-fluoroanilino)-2-keto-ethyl]thio]-4-keto-quinazolin-3-yl]hexanamide Formula: C22H23FN4O3S MolecularWeight: 442.506423

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC(=O)NC3=CC=C(C=C3)F)CCCCCC(=O)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC(=O)NC3=CC=C(C=C3)F)CCCCCC(=O)N

InChI

InChI=1S/C22H23FN4O3S/c23-15-9-11-16(12-10-15)25-20(29)14-31-22-26-18-7-4-3-6-17(18)21(30)27(22)13-5-1-2-8-19(24)28/h3-4,6-7,9-12H,1-2,5,8,13-14H2,(H2,24,28)(H,25,29)