1-(1-benzothiophen-7-yl)-4-[3-[2-bromanyl-4-(trifluoromethyl)phenyl]sulfanylpropyl]piperazine

Systemtic Name: 1-(1-benzothiophen-7-yl)-4-[3-[2-bromanyl-4-(trifluoromethyl)phenyl]sulfanylpropyl]piperazine Openeye Name: 1-(benzothiophen-7-yl)-4-[3-[2-bromo-4-(trifluoromethyl)phenyl]sulfanylpropyl]piperazine CAS Name: 1-(1-benzothiophen-7-yl)-4-[3-[[2-bromo-4-(trifluoromethyl)phenyl]thio]propyl]piperazine IUPAC Name: 1-(1-benzothiophen-7-yl)-4-[3-[2-bromo-4-(trifluoromethyl)phenyl]sulfanylpropyl]piperazine Traditional Name: 1-(benzothiophen-7-yl)-4-[3-[[2-bromo-4-(trifluoromethyl)phenyl]thio]propyl]piperazine Formula: C22H22BrF3N2S2 MolecularWeight: 515.45269

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCSC2=C(C=C(C=C2)C(F)(F)F)Br)C3=CC=CC4=C3SC=C4

Isomeric SMILES

C1CN(CCN1CCCSC2=C(C=C(C=C2)C(F)(F)F)Br)C3=CC=CC4=C3SC=C4

InChI

InChI=1S/C22H22BrF3N2S2/c23-18-15-17(22(24,25)26)5-6-20(18)29-13-2-8-27-9-11-28(12-10-27)19-4-1-3-16-7-14-30-21(16)19/h1,3-7,14-15H,2,8-13H2