2-[(4-tert-butyl-2,6-dimethyl-phenyl)methylsulfanyl]-3-(4-ethoxyphenyl)quinazolin-4-one

Systemtic Name: 2-[(4-tert-butyl-2,6-dimethyl-phenyl)methylsulfanyl]-3-(4-ethoxyphenyl)quinazolin-4-one Openeye Name: 2-[(4-tert-butyl-2,6-dimethyl-phenyl)methylsulfanyl]-3-(4-ethoxyphenyl)quinazolin-4-one CAS Name: 2-[(4-tert-butyl-2,6-dimethylphenyl)methylthio]-3-(4-ethoxyphenyl)-4-quinazolinone IUPAC Name: 2-[(4-tert-butyl-2,6-dimethylphenyl)methylsulfanyl]-3-(4-ethoxyphenyl)quinazolin-4-one Traditional Name: 2-[(4-tert-butyl-2,6-dimethyl-benzyl)thio]-3-p-phenetyl-quinazolin-4-one Formula: C29H32N2O2S MolecularWeight: 472.64158

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=C(C=C(C=C4C)C(C)(C)C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=C(C=C(C=C4C)C(C)(C)C)C

InChI

InChI=1S/C29H32N2O2S/c1-7-33-23-14-12-22(13-15-23)31-27(32)24-10-8-9-11-26(24)30-28(31)34-18-25-19(2)16-21(17-20(25)3)29(4,5)6/h8-17H,7,18H2,1-6H3