3-[(2S)-butan-2-yl]-2-[(5-ethanoyl-2-methoxy-phenyl)methylsulfanyl]quinazolin-4-one

Systemtic Name: 3-[(2S)-butan-2-yl]-2-[(5-ethanoyl-2-methoxy-phenyl)methylsulfanyl]quinazolin-4-one Openeye Name: 2-[(5-acetyl-2-methoxy-phenyl)methylsulfanyl]-3-[(1S)-1-methylpropyl]quinazolin-4-one CAS Name: 2-[(5-acetyl-2-methoxyphenyl)methylthio]-3-[(2S)-butan-2-yl]-4-quinazolinone IUPAC Name: 2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-3-[(2S)-butan-2-yl]quinazolin-4-one Traditional Name: 2-[(5-acetyl-2-methoxy-benzyl)thio]-3-[(1S)-1-methylpropyl]quinazolin-4-one Formula: C22H24N2O3S MolecularWeight: 396.50256

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N2O3S/c1-5-14(2)24-21(26)18-8-6-7-9-19(18)23-22(24)28-13-17-12-16(15(3)25)10-11-20(17)27-4/h6-12,14H,5,13H2,1-4H3/t14-/m0/s1