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

Systemtic Name: N,N'-bis(3-ethyl-6-fluoranyl-1,3-benzothiazol-2-ylidene)nonanediamide Openeye Name: N,N'-bis(3-ethyl-6-fluoro-1,3-benzothiazol-2-ylidene)nonanediamide CAS Name: N,N'-bis(3-ethyl-6-fluoro-1,3-benzothiazol-2-ylidene)nonanediamide IUPAC Name: N,N'-bis(3-ethyl-6-fluoro-1,3-benzothiazol-2-ylidene)nonanediamide Traditional Name: N,N'-bis(3-ethyl-6-fluoro-1,3-benzothiazol-2-ylidene)azelaamide Formula: C27H30F2N4O2S2 MolecularWeight: 544.679506

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)F)SC1=NC(=O)CCCCCCCC(=O)N=C3N(C4=C(S3)C=C(C=C4)F)CC

Isomeric SMILES

CCN1C2=C(C=C(C=C2)F)SC1=NC(=O)CCCCCCCC(=O)N=C3N(C4=C(S3)C=C(C=C4)F)CC

InChI

InChI=1S/C27H30F2N4O2S2/c1-3-32-20-14-12-18(28)16-22(20)36-26(32)30-24(34)10-8-6-5-7-9-11-25(35)31-27-33(4-2)21-15-13-19(29)17-23(21)37-27/h12-17H,3-11H2,1-2H3