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N-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]carbothioyladamantane-1-carboxamide

N-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]carbothioyladamantane-1-carboxamide

Systemtic Name:N-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]carbothioyladamantane-1-carboxamide
Openeye Name:N-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioyl]adamantane-1-carboxamide
CAS Name:N-[sulfanylidene-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]methyl]-1-adamantanecarboxamide
IUPAC Name:N-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioyl]adamantane-1-carboxamide
Traditional Name:N-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioyl]adamantane-1-carboxamide
Formula: C23H28F3N3OS
MolecularWeight: 451.54813
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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC(=C2)C(F)(F)F)C(=S)NC(=O)C34CC5CC(C3)CC(C5)C4


Isomeric SMILES

C1CN(CCN1C2=CC=CC(=C2)C(F)(F)F)C(=S)NC(=O)C34CC5CC(C3)CC(C5)C4


InChI

InChI=1S/C23H28F3N3OS/c24-23(25,26)18-2-1-3-19(11-18)28-4-6-29(7-5-28)21(31)27-20(30)22-12-15-8-16(13-22)10-17(9-15)14-22/h1-3,11,15-17H,4-10,12-14H2,(H,27,30,31)


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