2-[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]-1-piperidin-1-yl-ethanone

Systemtic Name: 2-[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]-1-piperidin-1-yl-ethanone Openeye Name: 2-[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]-1-(1-piperidyl)ethanone CAS Name: 2-[(6-nitro-1H-benzimidazol-2-yl)thio]-1-(1-piperidinyl)ethanone IUPAC Name: 2-[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]-1-piperidin-1-ylethanone Traditional Name: 2-[(6-nitro-1H-benzimidazol-2-yl)thio]-1-piperidino-ethanone Formula: C14H16N4O3S MolecularWeight: 320.36684

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)CSC2=NC3=C(N2)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C(=O)CSC2=NC3=C(N2)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C14H16N4O3S/c19-13(17-6-2-1-3-7-17)9-22-14-15-11-5-4-10(18(20)21)8-12(11)16-14/h4-5,8H,1-3,6-7,9H2,(H,15,16)