2-[(2R)-1-[3,4-bis(fluoranyl)phenyl]-1-oxidanylidene-propan-2-yl]sulfanyl-3-butyl-quinazolin-4-one

Systemtic Name: 2-[(2R)-1-[3,4-bis(fluoranyl)phenyl]-1-oxidanylidene-propan-2-yl]sulfanyl-3-butyl-quinazolin-4-one Openeye Name: 3-butyl-2-[(1R)-2-(3,4-difluorophenyl)-1-methyl-2-oxo-ethyl]sulfanyl-quinazolin-4-one CAS Name: 3-butyl-2-[[(2R)-1-(3,4-difluorophenyl)-1-oxopropan-2-yl]thio]-4-quinazolinone IUPAC Name: 3-butyl-2-[(2R)-1-(3,4-difluorophenyl)-1-oxopropan-2-yl]sulfanylquinazolin-4-one Traditional Name: 3-butyl-2-[[(1R)-2-(3,4-difluorophenyl)-2-keto-1-methyl-ethyl]thio]quinazolin-4-one Formula: C21H20F2N2O2S MolecularWeight: 402.457506

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2N=C1SC(C)C(=O)C3=CC(=C(C=C3)F)F

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2N=C1S[C@H](C)C(=O)C3=CC(=C(C=C3)F)F

InChI

InChI=1S/C21H20F2N2O2S/c1-3-4-11-25-20(27)15-7-5-6-8-18(15)24-21(25)28-13(2)19(26)14-9-10-16(22)17(23)12-14/h5-10,12-13H,3-4,11H2,1-2H3/t13-/m1/s1