3-butyl-2-[(5-ethanoyl-2-methoxy-phenyl)methylsulfanyl]quinazolin-4-one

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2N=C1SCC3=C(C=CC(=C3)C(=O)C)OC

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2N=C1SCC3=C(C=CC(=C3)C(=O)C)OC

InChI

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