N,N'-bis(4,7-dimethoxy-1,3-benzothiazol-2-yl)nonanediamide

Systemtic Name: N,N'-bis(4,7-dimethoxy-1,3-benzothiazol-2-yl)nonanediamide Openeye Name: N,N'-bis(4,7-dimethoxy-1,3-benzothiazol-2-yl)nonanediamide CAS Name: N,N'-bis(4,7-dimethoxy-1,3-benzothiazol-2-yl)nonanediamide IUPAC Name: N,N'-bis(4,7-dimethoxy-1,3-benzothiazol-2-yl)nonanediamide Traditional Name: N,N'-bis(4,7-dimethoxy-1,3-benzothiazol-2-yl)azelaamide Formula: C27H32N4O6S2 MolecularWeight: 572.69618

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=C(C=C1)OC)SC(=N2)NC(=O)CCCCCCCC(=O)NC3=NC4=C(C=CC(=C4S3)OC)OC

Isomeric SMILES

COC1=C2C(=C(C=C1)OC)SC(=N2)NC(=O)CCCCCCCC(=O)NC3=NC4=C(C=CC(=C4S3)OC)OC

InChI

InChI=1S/C27H32N4O6S2/c1-34-16-12-14-18(36-3)24-22(16)30-26(38-24)28-20(32)10-8-6-5-7-9-11-21(33)29-27-31-23-17(35-2)13-15-19(37-4)25(23)39-27/h12-15H,5-11H2,1-4H3,(H,28,30,32)(H,29,31,33)