6-nitro-2-[3-[4-(phenylmethyl)piperidin-1-yl]propylsulfanyl]-1H-benzimidazole

Systemtic Name: 6-nitro-2-[3-[4-(phenylmethyl)piperidin-1-yl]propylsulfanyl]-1H-benzimidazole Openeye Name: 2-[3-(4-benzyl-1-piperidyl)propylsulfanyl]-6-nitro-1H-benzimidazole CAS Name: 6-nitro-2-[3-[4-(phenylmethyl)-1-piperidinyl]propylthio]-1H-benzimidazole IUPAC Name: 2-[3-(4-benzylpiperidin-1-yl)propylsulfanyl]-6-nitro-1H-benzimidazole Traditional Name: 2-[3-(4-benzylpiperidino)propylthio]-6-nitro-1H-benzimidazole Formula: C22H26N4O2S MolecularWeight: 410.53244

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)CCCSC3=NC4=C(N3)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)CCCSC3=NC4=C(N3)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H26N4O2S/c27-26(28)19-7-8-20-21(16-19)24-22(23-20)29-14-4-11-25-12-9-18(10-13-25)15-17-5-2-1-3-6-17/h1-3,5-8,16,18H,4,9-15H2,(H,23,24)