2-[4-(ethylamino)quinazolin-2-yl]sulfanyl-1-[4-(phenylsulfonyl)piperazin-1-yl]ethanone

Systemtic Name: 2-[4-(ethylamino)quinazolin-2-yl]sulfanyl-1-[4-(phenylsulfonyl)piperazin-1-yl]ethanone Openeye Name: 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-[4-(ethylamino)quinazolin-2-yl]sulfanyl-ethanone CAS Name: 1-[4-(benzenesulfonyl)-1-piperazinyl]-2-[[4-(ethylamino)-2-quinazolinyl]thio]ethanone IUPAC Name: 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-[4-(ethylamino)quinazolin-2-yl]sulfanylethanone Traditional Name: 1-(4-besylpiperazino)-2-[[4-(ethylamino)quinazolin-2-yl]thio]ethanone Formula: C22H25N5O3S2 MolecularWeight: 471.5956

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCNC1=NC(=NC2=CC=CC=C21)SCC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CCNC1=NC(=NC2=CC=CC=C21)SCC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H25N5O3S2/c1-2-23-21-18-10-6-7-11-19(18)24-22(25-21)31-16-20(28)26-12-14-27(15-13-26)32(29,30)17-8-4-3-5-9-17/h3-11H,2,12-16H2,1H3,(H,23,24,25)