N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxamide

Systemtic Name: N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxamide Openeye Name: N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxamide CAS Name: N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-[2-nitro-4-(trifluoromethyl)phenyl]-4-piperidinecarboxamide IUPAC Name: N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxamide Traditional Name: N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-[2-nitro-4-(trifluoromethyl)phenyl]isonipecotamide Formula: C18H18F3N5O3S MolecularWeight: 441.42743

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN=C(S2)NC(=O)C3CCN(CC3)C4=C(C=C(C=C4)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1CC1C2=NN=C(S2)NC(=O)C3CCN(CC3)C4=C(C=C(C=C4)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C18H18F3N5O3S/c19-18(20,21)12-3-4-13(14(9-12)26(28)29)25-7-5-10(6-8-25)15(27)22-17-24-23-16(30-17)11-1-2-11/h3-4,9-11H,1-2,5-8H2,(H,22,24,27)