2-[(4-tert-butylphenyl)methylsulfanyl]-7-chloranyl-3-(2-methylpropyl)quinazolin-4-one

Systemtic Name: 2-[(4-tert-butylphenyl)methylsulfanyl]-7-chloranyl-3-(2-methylpropyl)quinazolin-4-one Openeye Name: 2-[(4-tert-butylphenyl)methylsulfanyl]-7-chloro-3-isobutyl-quinazolin-4-one CAS Name: 2-[(4-tert-butylphenyl)methylthio]-7-chloro-3-(2-methylpropyl)-4-quinazolinone IUPAC Name: 2-[(4-tert-butylphenyl)methylsulfanyl]-7-chloro-3-(2-methylpropyl)quinazolin-4-one Traditional Name: 2-[(4-tert-butylbenzyl)thio]-7-chloro-3-isobutyl-quinazolin-4-one Formula: C23H27ClN2OS MolecularWeight: 414.99128

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CC(C)CN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C23H27ClN2OS/c1-15(2)13-26-21(27)19-11-10-18(24)12-20(19)25-22(26)28-14-16-6-8-17(9-7-16)23(3,4)5/h6-12,15H,13-14H2,1-5H3