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3,3,5-trimethyl-N-[3-(trifluoromethyl)phenyl]azepane-1-carbothioamide
3,3,5-trimethyl-N-[3-(trifluoromethyl)phenyl]azepane-1-carbothioamide
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Descriptors Computed from Structure
Canonical SMILES:
CC1CCN(CC(C1)(C)C)C(=S)NC2=CC=CC(=C2)C(F)(F)F
Isomeric SMILES
CC1CCN(CC(C1)(C)C)C(=S)NC2=CC=CC(=C2)C(F)(F)F
InChI
InChI=1S/C17H23F3N2S/c1-12-7-8-22(11-16(2,3)10-12)15(23)21-14-6-4-5-13(9-14)17(18,19)20/h4-6,9,12H,7-8,10-11H2,1-3H3,(H,21,23)
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