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

Systemtic Name: 2-[(4-tert-butyl-2,6-dimethyl-phenyl)methylsulfanyl]-3-(phenylmethyl)quinazolin-4-one Openeye Name: 3-benzyl-2-[(4-tert-butyl-2,6-dimethyl-phenyl)methylsulfanyl]quinazolin-4-one CAS Name: 2-[(4-tert-butyl-2,6-dimethylphenyl)methylthio]-3-(phenylmethyl)-4-quinazolinone IUPAC Name: 3-benzyl-2-[(4-tert-butyl-2,6-dimethylphenyl)methylsulfanyl]quinazolin-4-one Traditional Name: 3-benzyl-2-[(4-tert-butyl-2,6-dimethyl-benzyl)thio]quinazolin-4-one Formula: C28H30N2OS MolecularWeight: 442.6156

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1CSC2=NC3=CC=CC=C3C(=O)N2CC4=CC=CC=C4)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1CSC2=NC3=CC=CC=C3C(=O)N2CC4=CC=CC=C4)C)C(C)(C)C

InChI

InChI=1S/C28H30N2OS/c1-19-15-22(28(3,4)5)16-20(2)24(19)18-32-27-29-25-14-10-9-13-23(25)26(31)30(27)17-21-11-7-6-8-12-21/h6-16H,17-18H2,1-5H3