[2-[[1,3-benzodioxol-5-ylmethyl-[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]-1,3-thiazol-4-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone

Systemtic Name: [2-[[1,3-benzodioxol-5-ylmethyl-[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]-1,3-thiazol-4-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone Openeye Name: [2-[[1,3-benzodioxol-5-ylmethyl-[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]thiazol-4-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone CAS Name: [2-[[1,3-benzodioxol-5-ylmethyl-[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]-4-thiazolyl]-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]methanone IUPAC Name: [2-[[1,3-benzodioxol-5-ylmethyl-[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]-1,3-thiazol-4-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone Traditional Name: [2-[[piperonyl-[3-(trifluoromethyl)benzyl]amino]methyl]thiazol-4-yl]-[4-[3-(trifluoromethyl)phenyl]piperazino]methanone Formula: C32H28F6N4O3S MolecularWeight: 662.645139

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC(=C2)C(F)(F)F)C(=O)C3=CSC(=N3)CN(CC4=CC(=CC=C4)C(F)(F)F)CC5=CC6=C(C=C5)OCO6

Isomeric SMILES

C1CN(CCN1C2=CC=CC(=C2)C(F)(F)F)C(=O)C3=CSC(=N3)CN(CC4=CC(=CC=C4)C(F)(F)F)CC5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C32H28F6N4O3S/c33-31(34,35)23-4-1-3-21(13-23)16-40(17-22-7-8-27-28(14-22)45-20-44-27)18-29-39-26(19-46-29)30(43)42-11-9-41(10-12-42)25-6-2-5-24(15-25)32(36,37)38/h1-8,13-15,19H,9-12,16-18,20H2