1-[4-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(4-fluorophenyl)sulfanyl-ethanone

Systemtic Name: 1-[4-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(4-fluorophenyl)sulfanyl-ethanone Openeye Name: 1-[4-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(4-fluorophenyl)sulfanyl-ethanone CAS Name: 1-[4-(4,6-dimethyl-1,3-benzothiazol-2-yl)-1-piperazinyl]-2-[(4-fluorophenyl)thio]ethanone IUPAC Name: 1-[4-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(4-fluorophenyl)sulfanylethanone Traditional Name: 1-[4-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperazino]-2-[(4-fluorophenyl)thio]ethanone Formula: C21H22FN3OS2 MolecularWeight: 415.547283

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)SC(=N2)N3CCN(CC3)C(=O)CSC4=CC=C(C=C4)F)C

Isomeric SMILES

CC1=CC(=C2C(=C1)SC(=N2)N3CCN(CC3)C(=O)CSC4=CC=C(C=C4)F)C

InChI

InChI=1S/C21H22FN3OS2/c1-14-11-15(2)20-18(12-14)28-21(23-20)25-9-7-24(8-10-25)19(26)13-27-17-5-3-16(22)4-6-17/h3-6,11-12H,7-10,13H2,1-2H3