2-[(4-tert-butylphenyl)methylsulfanyl]-6-morpholin-4-yl-3-(phenylmethyl)quinazolin-4-one

Systemtic Name: 2-[(4-tert-butylphenyl)methylsulfanyl]-6-morpholin-4-yl-3-(phenylmethyl)quinazolin-4-one Openeye Name: 3-benzyl-2-[(4-tert-butylphenyl)methylsulfanyl]-6-morpholino-quinazolin-4-one CAS Name: 2-[(4-tert-butylphenyl)methylthio]-6-(4-morpholinyl)-3-(phenylmethyl)-4-quinazolinone IUPAC Name: 3-benzyl-2-[(4-tert-butylphenyl)methylsulfanyl]-6-morpholin-4-ylquinazolin-4-one Traditional Name: 3-benzyl-2-[(4-tert-butylbenzyl)thio]-6-morpholino-quinazolin-4-one Formula: C30H33N3O2S MolecularWeight: 499.66692

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CSC2=NC3=C(C=C(C=C3)N4CCOCC4)C(=O)N2CC5=CC=CC=C5

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CSC2=NC3=C(C=C(C=C3)N4CCOCC4)C(=O)N2CC5=CC=CC=C5

InChI

InChI=1S/C30H33N3O2S/c1-30(2,3)24-11-9-23(10-12-24)21-36-29-31-27-14-13-25(32-15-17-35-18-16-32)19-26(27)28(34)33(29)20-22-7-5-4-6-8-22/h4-14,19H,15-18,20-21H2,1-3H3