3-(4-fluorophenyl)sulfanyl-1-[4-(4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]propan-1-one

Systemtic Name: 3-(4-fluorophenyl)sulfanyl-1-[4-(4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]propan-1-one Openeye Name: 3-(4-fluorophenyl)sulfanyl-1-[4-(4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]propan-1-one CAS Name: 3-[(4-fluorophenyl)thio]-1-[4-(4-methoxy-1,3-benzothiazol-2-yl)-1-piperazinyl]-1-propanone IUPAC Name: 3-(4-fluorophenyl)sulfanyl-1-[4-(4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]propan-1-one Traditional Name: 3-[(4-fluorophenyl)thio]-1-[4-(4-methoxy-1,3-benzothiazol-2-yl)piperazino]propan-1-one Formula: C21H22FN3O2S2 MolecularWeight: 431.546683

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=CC=C1)SC(=N2)N3CCN(CC3)C(=O)CCSC4=CC=C(C=C4)F

Isomeric SMILES

COC1=C2C(=CC=C1)SC(=N2)N3CCN(CC3)C(=O)CCSC4=CC=C(C=C4)F

InChI

InChI=1S/C21H22FN3O2S2/c1-27-17-3-2-4-18-20(17)23-21(29-18)25-12-10-24(11-13-25)19(26)9-14-28-16-7-5-15(22)6-8-16/h2-8H,9-14H2,1H3