3,5-dimethyl-2-[[4-[4-(phenylmethyl)piperazin-1-yl]carbonylphenyl]methylsulfanyl]quinazolin-4-one

Systemtic Name: 3,5-dimethyl-2-[[4-[4-(phenylmethyl)piperazin-1-yl]carbonylphenyl]methylsulfanyl]quinazolin-4-one Openeye Name: 2-[[4-(4-benzylpiperazine-1-carbonyl)phenyl]methylsulfanyl]-3,5-dimethyl-quinazolin-4-one CAS Name: 3,5-dimethyl-2-[[4-[oxo-[4-(phenylmethyl)-1-piperazinyl]methyl]phenyl]methylthio]-4-quinazolinone IUPAC Name: 2-[[4-(4-benzylpiperazine-1-carbonyl)phenyl]methylsulfanyl]-3,5-dimethylquinazolin-4-one Traditional Name: 2-[[4-(4-benzylpiperazine-1-carbonyl)benzyl]thio]-3,5-dimethyl-quinazolin-4-one Formula: C29H30N4O2S MolecularWeight: 498.6391

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)N4CCN(CC4)CC5=CC=CC=C5

Isomeric SMILES

CC1=C2C(=CC=C1)N=C(N(C2=O)C)SCC3=CC=C(C=C3)C(=O)N4CCN(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C29H30N4O2S/c1-21-7-6-10-25-26(21)28(35)31(2)29(30-25)36-20-23-11-13-24(14-12-23)27(34)33-17-15-32(16-18-33)19-22-8-4-3-5-9-22/h3-14H,15-20H2,1-2H3