3-[(2S)-butan-2-yl]-2-[(5-phenyl-1,2-oxazol-3-yl)methylsulfanyl]quinazolin-4-one

Systemtic Name: 3-[(2S)-butan-2-yl]-2-[(5-phenyl-1,2-oxazol-3-yl)methylsulfanyl]quinazolin-4-one Openeye Name: 3-[(1S)-1-methylpropyl]-2-[(5-phenylisoxazol-3-yl)methylsulfanyl]quinazolin-4-one CAS Name: 3-[(2S)-butan-2-yl]-2-[(5-phenyl-3-isoxazolyl)methylthio]-4-quinazolinone IUPAC Name: 3-[(2S)-butan-2-yl]-2-[(5-phenyl-1,2-oxazol-3-yl)methylsulfanyl]quinazolin-4-one Traditional Name: 3-[(1S)-1-methylpropyl]-2-[(5-phenylisoxazol-3-yl)methylthio]quinazolin-4-one Formula: C22H21N3O2S MolecularWeight: 391.48604

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C(=O)C2=CC=CC=C2N=C1SCC3=NOC(=C3)C4=CC=CC=C4

Isomeric SMILES

CC[C@H](C)N1C(=O)C2=CC=CC=C2N=C1SCC3=NOC(=C3)C4=CC=CC=C4

InChI

InChI=1S/C22H21N3O2S/c1-3-15(2)25-21(26)18-11-7-8-12-19(18)23-22(25)28-14-17-13-20(27-24-17)16-9-5-4-6-10-16/h4-13,15H,3,14H2,1-2H3/t15-/m0/s1