5-nitro-1-(4-piperidin-1-ylbut-2-ynyl)-2-(4-piperidin-1-ylbut-2-ynylsulfanyl)benzimidazole

Systemtic Name: 5-nitro-1-(4-piperidin-1-ylbut-2-ynyl)-2-(4-piperidin-1-ylbut-2-ynylsulfanyl)benzimidazole Openeye Name: 5-nitro-1-[4-(1-piperidyl)but-2-ynyl]-2-[4-(1-piperidyl)but-2-ynylsulfanyl]benzimidazole CAS Name: 5-nitro-1-[4-(1-piperidinyl)but-2-ynyl]-2-[4-(1-piperidinyl)but-2-ynylthio]benzimidazole IUPAC Name: 5-nitro-1-(4-piperidin-1-ylbut-2-ynyl)-2-(4-piperidin-1-ylbut-2-ynylsulfanyl)benzimidazole Traditional Name: 5-nitro-1-(4-piperidinobut-2-ynyl)-2-(4-piperidinobut-2-ynylthio)benzimidazole Formula: C25H31N5O2S MolecularWeight: 465.61094

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC#CCN2C3=C(C=C(C=C3)[N+](=O)[O-])N=C2SCC#CCN4CCCCC4

Isomeric SMILES

C1CCN(CC1)CC#CCN2C3=C(C=C(C=C3)[N+](=O)[O-])N=C2SCC#CCN4CCCCC4

InChI

InChI=1S/C25H31N5O2S/c31-30(32)22-11-12-24-23(21-22)26-25(33-20-10-9-18-28-15-5-2-6-16-28)29(24)19-8-7-17-27-13-3-1-4-14-27/h11-12,21H,1-6,13-20H2