2-methyl-3-[4-(4-thiophen-2-ylsulfonylpiperazin-1-yl)carbonylphenyl]quinazolin-4-one

Systemtic Name: 2-methyl-3-[4-(4-thiophen-2-ylsulfonylpiperazin-1-yl)carbonylphenyl]quinazolin-4-one Openeye Name: 2-methyl-3-[4-[4-(2-thienylsulfonyl)piperazine-1-carbonyl]phenyl]quinazolin-4-one CAS Name: 2-methyl-3-[4-[oxo-(4-thiophen-2-ylsulfonyl-1-piperazinyl)methyl]phenyl]-4-quinazolinone IUPAC Name: 2-methyl-3-[4-(4-thiophen-2-ylsulfonylpiperazine-1-carbonyl)phenyl]quinazolin-4-one Traditional Name: 2-methyl-3-[4-[4-(2-thienylsulfonyl)piperazine-1-carbonyl]phenyl]quinazolin-4-one Formula: C24H22N4O4S2 MolecularWeight: 494.58588

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)C(=O)N4CCN(CC4)S(=O)(=O)C5=CC=CS5

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)C(=O)N4CCN(CC4)S(=O)(=O)C5=CC=CS5

InChI

InChI=1S/C24H22N4O4S2/c1-17-25-21-6-3-2-5-20(21)24(30)28(17)19-10-8-18(9-11-19)23(29)26-12-14-27(15-13-26)34(31,32)22-7-4-16-33-22/h2-11,16H,12-15H2,1H3