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

Systemtic Name: 6-nitro-2-[2-[4-(phenylmethyl)piperidin-1-yl]ethylsulfanyl]-1H-benzimidazole Openeye Name: 2-[2-(4-benzyl-1-piperidyl)ethylsulfanyl]-6-nitro-1H-benzimidazole CAS Name: 6-nitro-2-[2-[4-(phenylmethyl)-1-piperidinyl]ethylthio]-1H-benzimidazole IUPAC Name: 2-[2-(4-benzylpiperidin-1-yl)ethylsulfanyl]-6-nitro-1H-benzimidazole Traditional Name: 2-[2-(4-benzylpiperidino)ethylthio]-6-nitro-1H-benzimidazole Formula: C21H24N4O2S MolecularWeight: 396.50586

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)CCSC3=NC4=C(N3)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)CCSC3=NC4=C(N3)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H24N4O2S/c26-25(27)18-6-7-19-20(15-18)23-21(22-19)28-13-12-24-10-8-17(9-11-24)14-16-4-2-1-3-5-16/h1-7,15,17H,8-14H2,(H,22,23)