2-(1,3-benzoxazol-2-ylsulfanyl)-1-[4-[[4-(trifluoromethyloxy)phenyl]methyl]piperazin-1-yl]ethanone

Systemtic Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-1-[4-[[4-(trifluoromethyloxy)phenyl]methyl]piperazin-1-yl]ethanone Openeye Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-1-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]ethanone CAS Name: 2-(1,3-benzoxazol-2-ylthio)-1-[4-[[4-(trifluoromethoxy)phenyl]methyl]-1-piperazinyl]ethanone IUPAC Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-1-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]ethanone Traditional Name: 2-(1,3-benzoxazol-2-ylthio)-1-[4-[4-(trifluoromethoxy)benzyl]piperazino]ethanone Formula: C21H20F3N3O3S MolecularWeight: 451.46201

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(C=C2)OC(F)(F)F)C(=O)CSC3=NC4=CC=CC=C4O3

Isomeric SMILES

C1CN(CCN1CC2=CC=C(C=C2)OC(F)(F)F)C(=O)CSC3=NC4=CC=CC=C4O3

InChI

InChI=1S/C21H20F3N3O3S/c22-21(23,24)30-16-7-5-15(6-8-16)13-26-9-11-27(12-10-26)19(28)14-31-20-25-17-3-1-2-4-18(17)29-20/h1-8H,9-14H2