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

Systemtic Name: 2-[(5-ethanoyl-2-methoxy-phenyl)methylsulfanyl]-3-phenethyl-quinazolin-4-one Openeye Name: 2-[(5-acetyl-2-methoxy-phenyl)methylsulfanyl]-3-phenethyl-quinazolin-4-one CAS Name: 2-[(5-acetyl-2-methoxyphenyl)methylthio]-3-phenethyl-4-quinazolinone IUPAC Name: 2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-3-phenethylquinazolin-4-one Traditional Name: 2-[(5-acetyl-2-methoxy-benzyl)thio]-3-phenethyl-quinazolin-4-one Formula: C26H24N2O3S MolecularWeight: 444.54536

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)OC)CSC2=NC3=CC=CC=C3C(=O)N2CCC4=CC=CC=C4

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)OC)CSC2=NC3=CC=CC=C3C(=O)N2CCC4=CC=CC=C4

InChI

InChI=1S/C26H24N2O3S/c1-18(29)20-12-13-24(31-2)21(16-20)17-32-26-27-23-11-7-6-10-22(23)25(30)28(26)15-14-19-8-4-3-5-9-19/h3-13,16H,14-15,17H2,1-2H3