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

Systemtic Name: 3,5-dimethyl-2-[[3-(4-methylpiperazin-1-yl)carbonylphenyl]methylsulfanyl]quinazolin-4-one Openeye Name: 3,5-dimethyl-2-[[3-(4-methylpiperazine-1-carbonyl)phenyl]methylsulfanyl]quinazolin-4-one CAS Name: 3,5-dimethyl-2-[[3-[(4-methyl-1-piperazinyl)-oxomethyl]phenyl]methylthio]-4-quinazolinone IUPAC Name: 3,5-dimethyl-2-[[3-(4-methylpiperazine-1-carbonyl)phenyl]methylsulfanyl]quinazolin-4-one Traditional Name: 3,5-dimethyl-2-[[3-(4-methylpiperazine-1-carbonyl)benzyl]thio]quinazolin-4-one Formula: C23H26N4O2S MolecularWeight: 422.54314

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26N4O2S/c1-16-6-4-9-19-20(16)22(29)26(3)23(24-19)30-15-17-7-5-8-18(14-17)21(28)27-12-10-25(2)11-13-27/h4-9,14H,10-13,15H2,1-3H3