2-[4-(4-fluorophenyl)-4-oxidanylidene-butyl]sulfanyl-3-(2-methylpropyl)quinazolin-4-one

Systemtic Name: 2-[4-(4-fluorophenyl)-4-oxidanylidene-butyl]sulfanyl-3-(2-methylpropyl)quinazolin-4-one Openeye Name: 2-[4-(4-fluorophenyl)-4-oxo-butyl]sulfanyl-3-isobutyl-quinazolin-4-one CAS Name: 2-[[4-(4-fluorophenyl)-4-oxobutyl]thio]-3-(2-methylpropyl)-4-quinazolinone IUPAC Name: 2-[4-(4-fluorophenyl)-4-oxobutyl]sulfanyl-3-(2-methylpropyl)quinazolin-4-one Traditional Name: 2-[[4-(4-fluorophenyl)-4-keto-butyl]thio]-3-isobutyl-quinazolin-4-one Formula: C22H23FN2O2S MolecularWeight: 398.493623

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=CC=CC=C2N=C1SCCCC(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CC(C)CN1C(=O)C2=CC=CC=C2N=C1SCCCC(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C22H23FN2O2S/c1-15(2)14-25-21(27)18-6-3-4-7-19(18)24-22(25)28-13-5-8-20(26)16-9-11-17(23)12-10-16/h3-4,6-7,9-12,15H,5,8,13-14H2,1-2H3