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

Systemtic Name: 3-(4-butan-2-ylphenyl)-2-[(5-ethanoyl-2-methoxy-phenyl)methylsulfanyl]quinazolin-4-one Openeye Name: 2-[(5-acetyl-2-methoxy-phenyl)methylsulfanyl]-3-(4-sec-butylphenyl)quinazolin-4-one CAS Name: 2-[(5-acetyl-2-methoxyphenyl)methylthio]-3-(4-butan-2-ylphenyl)-4-quinazolinone IUPAC Name: 2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-3-(4-butan-2-ylphenyl)quinazolin-4-one Traditional Name: 2-[(5-acetyl-2-methoxy-benzyl)thio]-3-(4-sec-butylphenyl)quinazolin-4-one Formula: C28H28N2O3S MolecularWeight: 472.59852

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=C(C=CC(=C4)C(=O)C)OC

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=C(C=CC(=C4)C(=O)C)OC

InChI

InChI=1S/C28H28N2O3S/c1-5-18(2)20-10-13-23(14-11-20)30-27(32)24-8-6-7-9-25(24)29-28(30)34-17-22-16-21(19(3)31)12-15-26(22)33-4/h6-16,18H,5,17H2,1-4H3