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

Systemtic Name: N,N'-bis(3-ethyl-6-nitro-1,3-benzothiazol-2-ylidene)decanediamide Openeye Name: N,N'-bis(3-ethyl-6-nitro-1,3-benzothiazol-2-ylidene)decanediamide CAS Name: N,N'-bis(3-ethyl-6-nitro-1,3-benzothiazol-2-ylidene)decanediamide IUPAC Name: N,N'-bis(3-ethyl-6-nitro-1,3-benzothiazol-2-ylidene)decanediamide Traditional Name: N,N'-bis(3-ethyl-6-nitro-1,3-benzothiazol-2-ylidene)sebacamide Formula: C28H32N6O6S2 MolecularWeight: 612.72028

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C28H32N6O6S2/c1-3-31-21-15-13-19(33(37)38)17-23(21)41-27(31)29-25(35)11-9-7-5-6-8-10-12-26(36)30-28-32(4-2)22-16-14-20(34(39)40)18-24(22)42-28/h13-18H,3-12H2,1-2H3