N-[6-[[2-(trifluoromethyloxy)phenyl]carbamothioylamino]-1,3-benzothiazol-2-yl]cyclohexanecarboxamide

Systemtic Name: N-[6-[[2-(trifluoromethyloxy)phenyl]carbamothioylamino]-1,3-benzothiazol-2-yl]cyclohexanecarboxamide Openeye Name: N-[6-[[2-(trifluoromethoxy)phenyl]carbamothioylamino]-1,3-benzothiazol-2-yl]cyclohexanecarboxamide CAS Name: N-[6-[[sulfanylidene-[2-(trifluoromethoxy)anilino]methyl]amino]-1,3-benzothiazol-2-yl]cyclohexanecarboxamide IUPAC Name: N-[6-[[2-(trifluoromethoxy)phenyl]carbamothioylamino]-1,3-benzothiazol-2-yl]cyclohexanecarboxamide Traditional Name: N-[6-[[2-(trifluoromethoxy)phenyl]thiocarbamoylamino]-1,3-benzothiazol-2-yl]cyclohexanecarboxamide Formula: C22H21F3N4O2S2 MolecularWeight: 494.55295

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)NC2=NC3=C(S2)C=C(C=C3)NC(=S)NC4=CC=CC=C4OC(F)(F)F

Isomeric SMILES

C1CCC(CC1)C(=O)NC2=NC3=C(S2)C=C(C=C3)NC(=S)NC4=CC=CC=C4OC(F)(F)F

InChI

InChI=1S/C22H21F3N4O2S2/c23-22(24,25)31-17-9-5-4-8-15(17)27-20(32)26-14-10-11-16-18(12-14)33-21(28-16)29-19(30)13-6-2-1-3-7-13/h4-5,8-13H,1-3,6-7H2,(H2,26,27,32)(H,28,29,30)