N,N-dimethyl-2-[2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]ethanoylamino]ethanamide

Systemtic Name: N,N-dimethyl-2-[2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]ethanoylamino]ethanamide Openeye Name: N,N-dimethyl-2-[[2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]acetyl]amino]acetamide CAS Name: N,N-dimethyl-2-[[2-[(6-nitro-1,3-benzothiazol-2-yl)thio]-1-oxoethyl]amino]acetamide IUPAC Name: N,N-dimethyl-2-[[2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]acetyl]amino]acetamide Traditional Name: N,N-dimethyl-2-[[2-[(6-nitro-1,3-benzothiazol-2-yl)thio]acetyl]amino]acetamide Formula: C13H14N4O4S2 MolecularWeight: 354.40466

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)CNC(=O)CSC1=NC2=C(S1)C=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CN(C)C(=O)CNC(=O)CSC1=NC2=C(S1)C=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H14N4O4S2/c1-16(2)12(19)6-14-11(18)7-22-13-15-9-4-3-8(17(20)21)5-10(9)23-13/h3-5H,6-7H2,1-2H3,(H,14,18)