3-[4-(4-fluorophenyl)piperazin-1-yl]-2-propyl-2H-thiochromene 1,1-dioxide

Systemtic Name: 3-[4-(4-fluorophenyl)piperazin-1-yl]-2-propyl-2H-thiochromene 1,1-dioxide Openeye Name: 3-[4-(4-fluorophenyl)piperazin-1-yl]-2-propyl-2H-thiochromene 1,1-dioxide CAS Name: 3-[4-(4-fluorophenyl)-1-piperazinyl]-2-propyl-2H-1-benzothiopyran 1,1-dioxide IUPAC Name: 3-[4-(4-fluorophenyl)piperazin-1-yl]-2-propyl-2H-thiochromene 1,1-dioxide Traditional Name: 3-[4-(4-fluorophenyl)piperazino]-2-propyl-2H-thiochromene 1,1-dioxide Formula: C22H25FN2O2S MolecularWeight: 400.509503

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1C(=CC2=CC=CC=C2S1(=O)=O)N3CCN(CC3)C4=CC=C(C=C4)F

Isomeric SMILES

CCCC1C(=CC2=CC=CC=C2S1(=O)=O)N3CCN(CC3)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H25FN2O2S/c1-2-5-22-20(16-17-6-3-4-7-21(17)28(22,26)27)25-14-12-24(13-15-25)19-10-8-18(23)9-11-19/h3-4,6-11,16,22H,2,5,12-15H2,1H3