2-[1-(4-fluorophenyl)-5-nitro-benzimidazol-2-yl]sulfanyl-1-piperidin-1-yl-ethanone

Systemtic Name: 2-[1-(4-fluorophenyl)-5-nitro-benzimidazol-2-yl]sulfanyl-1-piperidin-1-yl-ethanone Openeye Name: 2-[1-(4-fluorophenyl)-5-nitro-benzimidazol-2-yl]sulfanyl-1-(1-piperidyl)ethanone CAS Name: 2-[[1-(4-fluorophenyl)-5-nitro-2-benzimidazolyl]thio]-1-(1-piperidinyl)ethanone IUPAC Name: 2-[1-(4-fluorophenyl)-5-nitrobenzimidazol-2-yl]sulfanyl-1-piperidin-1-ylethanone Traditional Name: 2-[[1-(4-fluorophenyl)-5-nitro-benzimidazol-2-yl]thio]-1-piperidino-ethanone Formula: C20H19FN4O3S MolecularWeight: 414.453263

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)CSC2=NC3=C(N2C4=CC=C(C=C4)F)C=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C(=O)CSC2=NC3=C(N2C4=CC=C(C=C4)F)C=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H19FN4O3S/c21-14-4-6-15(7-5-14)24-18-9-8-16(25(27)28)12-17(18)22-20(24)29-13-19(26)23-10-2-1-3-11-23/h4-9,12H,1-3,10-11,13H2