7-chloranyl-3-cyclohexyl-2-[(5-ethanoyl-2-ethoxy-phenyl)methylsulfanyl]quinazolin-4-one

Systemtic Name: 7-chloranyl-3-cyclohexyl-2-[(5-ethanoyl-2-ethoxy-phenyl)methylsulfanyl]quinazolin-4-one Openeye Name: 2-[(5-acetyl-2-ethoxy-phenyl)methylsulfanyl]-7-chloro-3-cyclohexyl-quinazolin-4-one CAS Name: 2-[(5-acetyl-2-ethoxyphenyl)methylthio]-7-chloro-3-cyclohexyl-4-quinazolinone IUPAC Name: 2-[(5-acetyl-2-ethoxyphenyl)methylsulfanyl]-7-chloro-3-cyclohexylquinazolin-4-one Traditional Name: 2-[(5-acetyl-2-ethoxy-benzyl)thio]-7-chloro-3-cyclohexyl-quinazolin-4-one Formula: C25H27ClN2O3S MolecularWeight: 471.01148

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)C)CSC2=NC3=C(C=CC(=C3)Cl)C(=O)N2C4CCCCC4

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)C)CSC2=NC3=C(C=CC(=C3)Cl)C(=O)N2C4CCCCC4

InChI

InChI=1S/C25H27ClN2O3S/c1-3-31-23-12-9-17(16(2)29)13-18(23)15-32-25-27-22-14-19(26)10-11-21(22)24(30)28(25)20-7-5-4-6-8-20/h9-14,20H,3-8,15H2,1-2H3