3,5-dimethyl-2-[[4-(4-phenylmethoxyphenyl)carbonylphenyl]methylsulfanyl]quinazolin-4-one

Systemtic Name: 3,5-dimethyl-2-[[4-(4-phenylmethoxyphenyl)carbonylphenyl]methylsulfanyl]quinazolin-4-one Openeye Name: 2-[[4-(4-benzyloxybenzoyl)phenyl]methylsulfanyl]-3,5-dimethyl-quinazolin-4-one CAS Name: 3,5-dimethyl-2-[[4-[oxo-(4-phenylmethoxyphenyl)methyl]phenyl]methylthio]-4-quinazolinone IUPAC Name: 3,5-dimethyl-2-[[4-(4-phenylmethoxybenzoyl)phenyl]methylsulfanyl]quinazolin-4-one Traditional Name: 2-[[4-(4-benzoxybenzoyl)benzyl]thio]-3,5-dimethyl-quinazolin-4-one Formula: C31H26N2O3S MolecularWeight: 506.61474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)N=C(N(C2=O)C)SCC3=CC=C(C=C3)C(=O)C4=CC=C(C=C4)OCC5=CC=CC=C5

Isomeric SMILES

CC1=C2C(=CC=C1)N=C(N(C2=O)C)SCC3=CC=C(C=C3)C(=O)C4=CC=C(C=C4)OCC5=CC=CC=C5

InChI

InChI=1S/C31H26N2O3S/c1-21-7-6-10-27-28(21)30(35)33(2)31(32-27)37-20-23-11-13-24(14-12-23)29(34)25-15-17-26(18-16-25)36-19-22-8-4-3-5-9-22/h3-18H,19-20H2,1-2H3