2-[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]-N-[(2R)-1-oxidanylpropan-2-yl]ethanamide

Systemtic Name: 2-[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]-N-[(2R)-1-oxidanylpropan-2-yl]ethanamide Openeye Name: N-[(1R)-2-hydroxy-1-methyl-ethyl]-2-[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]acetamide CAS Name: N-[(2R)-1-hydroxypropan-2-yl]-2-[(6-nitro-1H-benzimidazol-2-yl)thio]acetamide IUPAC Name: N-[(2R)-1-hydroxypropan-2-yl]-2-[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]acetamide Traditional Name: N-[(1R)-2-hydroxy-1-methyl-ethyl]-2-[(6-nitro-1H-benzimidazol-2-yl)thio]acetamide Formula: C12H14N4O4S MolecularWeight: 310.32896

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Descriptors Computed from Structure

Canonical SMILES:

CC(CO)NC(=O)CSC1=NC2=C(N1)C=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C[C@H](CO)NC(=O)CSC1=NC2=C(N1)C=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C12H14N4O4S/c1-7(5-17)13-11(18)6-21-12-14-9-3-2-8(16(19)20)4-10(9)15-12/h2-4,7,17H,5-6H2,1H3,(H,13,18)(H,14,15)/t7-/m1/s1