N-[4-(trifluoromethyloxy)phenyl]azepane-1-carbothioamide

Systemtic Name: N-[4-(trifluoromethyloxy)phenyl]azepane-1-carbothioamide Openeye Name: N-[4-(trifluoromethoxy)phenyl]azepane-1-carbothioamide CAS Name: N-[4-(trifluoromethoxy)phenyl]-1-azepanecarbothioamide IUPAC Name: N-[4-(trifluoromethoxy)phenyl]azepane-1-carbothioamide Traditional Name: N-[4-(trifluoromethoxy)phenyl]azepane-1-carbothioamide Formula: C14H17F3N2OS MolecularWeight: 318.35779

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=S)NC2=CC=C(C=C2)OC(F)(F)F

Isomeric SMILES

C1CCCN(CC1)C(=S)NC2=CC=C(C=C2)OC(F)(F)F

InChI

InChI=1S/C14H17F3N2OS/c15-14(16,17)20-12-7-5-11(6-8-12)18-13(21)19-9-3-1-2-4-10-19/h5-8H,1-4,9-10H2,(H,18,21)