1-[4-(4,5-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(4-fluorophenyl)sulfanyl-ethanone

Systemtic Name: 1-[4-(4,5-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(4-fluorophenyl)sulfanyl-ethanone Openeye Name: 1-[4-(4,5-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(4-fluorophenyl)sulfanyl-ethanone CAS Name: 1-[4-(4,5-dimethyl-1,3-benzothiazol-2-yl)-1-piperazinyl]-2-[(4-fluorophenyl)thio]ethanone IUPAC Name: 1-[4-(4,5-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(4-fluorophenyl)sulfanylethanone Traditional Name: 1-[4-(4,5-dimethyl-1,3-benzothiazol-2-yl)piperazino]-2-[(4-fluorophenyl)thio]ethanone Formula: C21H22FN3OS2 MolecularWeight: 415.547283

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)SC(=N2)N3CCN(CC3)C(=O)CSC4=CC=C(C=C4)F)C

Isomeric SMILES

CC1=C(C2=C(C=C1)SC(=N2)N3CCN(CC3)C(=O)CSC4=CC=C(C=C4)F)C

InChI

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