2-[(2S)-1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl]sulfanyl-3-(3-fluoranyl-4-methyl-phenyl)quinazolin-4-one

Systemtic Name: 2-[(2S)-1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl]sulfanyl-3-(3-fluoranyl-4-methyl-phenyl)quinazolin-4-one Openeye Name: 2-[(1S)-2-(azepan-1-yl)-1-methyl-2-oxo-ethyl]sulfanyl-3-(3-fluoro-4-methyl-phenyl)quinazolin-4-one CAS Name: 2-[[(2S)-1-(1-azepanyl)-1-oxopropan-2-yl]thio]-3-(3-fluoro-4-methylphenyl)-4-quinazolinone IUPAC Name: 2-[(2S)-1-(azepan-1-yl)-1-oxopropan-2-yl]sulfanyl-3-(3-fluoro-4-methylphenyl)quinazolin-4-one Traditional Name: 2-[[(1S)-2-(azepan-1-yl)-2-keto-1-methyl-ethyl]thio]-3-(3-fluoro-4-methyl-phenyl)quinazolin-4-one Formula: C24H26FN3O2S MolecularWeight: 439.545543

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SC(C)C(=O)N4CCCCCC4)F

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2S[C@@H](C)C(=O)N4CCCCCC4)F

InChI

InChI=1S/C24H26FN3O2S/c1-16-11-12-18(15-20(16)25)28-23(30)19-9-5-6-10-21(19)26-24(28)31-17(2)22(29)27-13-7-3-4-8-14-27/h5-6,9-12,15,17H,3-4,7-8,13-14H2,1-2H3/t17-/m0/s1