6-fluoranyl-3-[4-(phenylmethyl)piperazin-1-yl]thiochromen-4-one

Systemtic Name: 6-fluoranyl-3-[4-(phenylmethyl)piperazin-1-yl]thiochromen-4-one Openeye Name: 3-(4-benzylpiperazin-1-yl)-6-fluoro-thiochromen-4-one CAS Name: 6-fluoro-3-[4-(phenylmethyl)-1-piperazinyl]-1-benzothiopyran-4-one IUPAC Name: 3-(4-benzylpiperazin-1-yl)-6-fluorothiochromen-4-one Traditional Name: 3-(4-benzylpiperazino)-6-fluoro-thiochromen-4-one Formula: C20H19FN2OS MolecularWeight: 354.441063

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C3=CSC4=C(C3=O)C=C(C=C4)F

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C3=CSC4=C(C3=O)C=C(C=C4)F

InChI

InChI=1S/C20H19FN2OS/c21-16-6-7-19-17(12-16)20(24)18(14-25-19)23-10-8-22(9-11-23)13-15-4-2-1-3-5-15/h1-7,12,14H,8-11,13H2