4,5-dihydrobenzo[g][1]benzothiol-2-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

Systemtic Name: 4,5-dihydrobenzo[g][1]benzothiol-2-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Openeye Name: 4,5-dihydrobenzo[g]benzothiophen-2-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone CAS Name: 4,5-dihydrobenzo[g][1]benzothiol-2-yl-[4-(2-pyrimidinyl)-1-piperazinyl]methanone IUPAC Name: 4,5-dihydrobenzo[g][1]benzothiol-2-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Traditional Name: 4,5-dihydrobenzo[g]benzothiophen-2-yl-[4-(2-pyrimidyl)piperazino]methanone Formula: C21H20N4OS MolecularWeight: 376.4747

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C3=CC=CC=C31)SC(=C2)C(=O)N4CCN(CC4)C5=NC=CC=N5

Isomeric SMILES

C1CC2=C(C3=CC=CC=C31)SC(=C2)C(=O)N4CCN(CC4)C5=NC=CC=N5

InChI

InChI=1S/C21H20N4OS/c26-20(24-10-12-25(13-11-24)21-22-8-3-9-23-21)18-14-16-7-6-15-4-1-2-5-17(15)19(16)27-18/h1-5,8-9,14H,6-7,10-13H2