N,N'-bis(6-nitro-1,3-benzothiazol-2-yl)hexanediamide

Systemtic Name: N,N'-bis(6-nitro-1,3-benzothiazol-2-yl)hexanediamide Openeye Name: N,N'-bis(6-nitro-1,3-benzothiazol-2-yl)hexanediamide CAS Name: N,N'-bis(6-nitro-1,3-benzothiazol-2-yl)hexanediamide IUPAC Name: N,N'-bis(6-nitro-1,3-benzothiazol-2-yl)hexanediamide Traditional Name: N,N'-bis(6-nitro-1,3-benzothiazol-2-yl)adipamide Formula: C20H16N6O6S2 MolecularWeight: 500.50764

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1[N+](=O)[O-])SC(=N2)NC(=O)CCCCC(=O)NC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC2=C(C=C1[N+](=O)[O-])SC(=N2)NC(=O)CCCCC(=O)NC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H16N6O6S2/c27-17(23-19-21-13-7-5-11(25(29)30)9-15(13)33-19)3-1-2-4-18(28)24-20-22-14-8-6-12(26(31)32)10-16(14)34-20/h5-10H,1-4H2,(H,21,23,27)(H,22,24,28)