1-[4-(6-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-3-(4-fluorophenyl)sulfanyl-propan-1-one

Systemtic Name: 1-[4-(6-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-3-(4-fluorophenyl)sulfanyl-propan-1-one Openeye Name: 1-[4-(6-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-3-(4-fluorophenyl)sulfanyl-propan-1-one CAS Name: 1-[4-(6-ethoxy-1,3-benzothiazol-2-yl)-1-piperazinyl]-3-[(4-fluorophenyl)thio]-1-propanone IUPAC Name: 1-[4-(6-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-3-(4-fluorophenyl)sulfanylpropan-1-one Traditional Name: 1-[4-(6-ethoxy-1,3-benzothiazol-2-yl)piperazino]-3-[(4-fluorophenyl)thio]propan-1-one Formula: C22H24FN3O2S2 MolecularWeight: 445.573263

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)N3CCN(CC3)C(=O)CCSC4=CC=C(C=C4)F

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)N3CCN(CC3)C(=O)CCSC4=CC=C(C=C4)F

InChI

InChI=1S/C22H24FN3O2S2/c1-2-28-17-5-8-19-20(15-17)30-22(24-19)26-12-10-25(11-13-26)21(27)9-14-29-18-6-3-16(23)4-7-18/h3-8,15H,2,9-14H2,1H3