(3R)-N,N'-bis(1,3-benzothiazol-2-yl)-3-methyl-hexanediamide

Systemtic Name: (3R)-N,N'-bis(1,3-benzothiazol-2-yl)-3-methyl-hexanediamide Openeye Name: (3R)-N,N'-bis(1,3-benzothiazol-2-yl)-3-methyl-hexanediamide CAS Name: (3R)-N,N'-bis(1,3-benzothiazol-2-yl)-3-methylhexanediamide IUPAC Name: (3R)-N,N'-bis(1,3-benzothiazol-2-yl)-3-methylhexanediamide Traditional Name: (3R)-N,N'-bis(1,3-benzothiazol-2-yl)-3-methyl-adipamide Formula: C21H20N4O2S2 MolecularWeight: 424.5391

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CCC(=O)NC1=NC2=CC=CC=C2S1)CC(=O)NC3=NC4=CC=CC=C4S3

Isomeric SMILES

C[C@H](CCC(=O)NC1=NC2=CC=CC=C2S1)CC(=O)NC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H20N4O2S2/c1-13(12-19(27)25-21-23-15-7-3-5-9-17(15)29-21)10-11-18(26)24-20-22-14-6-2-4-8-16(14)28-20/h2-9,13H,10-12H2,1H3,(H,22,24,26)(H,23,25,27)/t13-/m1/s1