2-chloranyl-5-nitro-N-[3-[6-piperidin-1-yl-4-(trifluoromethyl)pyridin-2-yl]oxypropyl]benzenecarbothioamide

Systemtic Name: 2-chloranyl-5-nitro-N-[3-[6-piperidin-1-yl-4-(trifluoromethyl)pyridin-2-yl]oxypropyl]benzenecarbothioamide Openeye Name: 2-chloro-5-nitro-N-[3-[[6-(1-piperidyl)-4-(trifluoromethyl)-2-pyridyl]oxy]propyl]benzenecarbothioamide CAS Name: 2-chloro-5-nitro-N-[3-[[6-(1-piperidinyl)-4-(trifluoromethyl)-2-pyridinyl]oxy]propyl]benzenecarbothioamide IUPAC Name: 2-chloro-5-nitro-N-[3-[6-piperidin-1-yl-4-(trifluoromethyl)pyridin-2-yl]oxypropyl]benzenecarbothioamide Traditional Name: 2-chloro-5-nitro-N-[3-[[6-piperidino-4-(trifluoromethyl)-2-pyridyl]oxy]propyl]thiobenzamide Formula: C21H22ClF3N4O3S MolecularWeight: 502.93759

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=NC(=CC(=C2)C(F)(F)F)OCCCNC(=S)C3=C(C=CC(=C3)[N+](=O)[O-])Cl

Isomeric SMILES

C1CCN(CC1)C2=NC(=CC(=C2)C(F)(F)F)OCCCNC(=S)C3=C(C=CC(=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C21H22ClF3N4O3S/c22-17-6-5-15(29(30)31)13-16(17)20(33)26-7-4-10-32-19-12-14(21(23,24)25)11-18(27-19)28-8-2-1-3-9-28/h5-6,11-13H,1-4,7-10H2,(H,26,33)