3,5-dimethyl-2-[[4-[4-(2-piperidin-1-ylethoxy)phenyl]carbonylphenyl]methylsulfanyl]quinazolin-4-one

Systemtic Name: 3,5-dimethyl-2-[[4-[4-(2-piperidin-1-ylethoxy)phenyl]carbonylphenyl]methylsulfanyl]quinazolin-4-one Openeye Name: 3,5-dimethyl-2-[[4-[4-[2-(1-piperidyl)ethoxy]benzoyl]phenyl]methylsulfanyl]quinazolin-4-one CAS Name: 3,5-dimethyl-2-[[4-[oxo-[4-[2-(1-piperidinyl)ethoxy]phenyl]methyl]phenyl]methylthio]-4-quinazolinone IUPAC Name: 3,5-dimethyl-2-[[4-[4-(2-piperidin-1-ylethoxy)benzoyl]phenyl]methylsulfanyl]quinazolin-4-one Traditional Name: 3,5-dimethyl-2-[[4-[4-(2-piperidinoethoxy)benzoyl]benzyl]thio]quinazolin-4-one Formula: C31H33N3O3S MolecularWeight: 527.67702

Click to see the large picture

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)OCCN5CCCCC5

Isomeric SMILES

CC1=C2C(=CC=C1)N=C(N(C2=O)C)SCC3=CC=C(C=C3)C(=O)C4=CC=C(C=C4)OCCN5CCCCC5

InChI

InChI=1S/C31H33N3O3S/c1-22-7-6-8-27-28(22)30(36)33(2)31(32-27)38-21-23-9-11-24(12-10-23)29(35)25-13-15-26(16-14-25)37-20-19-34-17-4-3-5-18-34/h6-16H,3-5,17-21H2,1-2H3