N,N'-bis(3-ethyl-6-nitro-1,3-benzothiazol-2-ylidene)nonanediamide

Systemtic Name: N,N'-bis(3-ethyl-6-nitro-1,3-benzothiazol-2-ylidene)nonanediamide Openeye Name: N,N'-bis(3-ethyl-6-nitro-1,3-benzothiazol-2-ylidene)nonanediamide CAS Name: N,N'-bis(3-ethyl-6-nitro-1,3-benzothiazol-2-ylidene)nonanediamide IUPAC Name: N,N'-bis(3-ethyl-6-nitro-1,3-benzothiazol-2-ylidene)nonanediamide Traditional Name: N,N'-bis(3-ethyl-6-nitro-1,3-benzothiazol-2-ylidene)azelaamide Formula: C27H30N6O6S2 MolecularWeight: 598.6937

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)CCCCCCCC(=O)N=C3N(C4=C(S3)C=C(C=C4)[N+](=O)[O-])CC

Isomeric SMILES

CCN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)CCCCCCCC(=O)N=C3N(C4=C(S3)C=C(C=C4)[N+](=O)[O-])CC

InChI

InChI=1S/C27H30N6O6S2/c1-3-30-20-14-12-18(32(36)37)16-22(20)40-26(30)28-24(34)10-8-6-5-7-9-11-25(35)29-27-31(4-2)21-15-13-19(33(38)39)17-23(21)41-27/h12-17H,3-11H2,1-2H3