3-(1,3-benzothiazol-2-yl)-3-cyano-N,N,N',N'-tetraethyl-pentanediamide

Systemtic Name: 3-(1,3-benzothiazol-2-yl)-3-cyano-N,N,N',N'-tetraethyl-pentanediamide Openeye Name: 3-(1,3-benzothiazol-2-yl)-3-cyano-N,N,N',N'-tetraethyl-pentanediamide CAS Name: 3-(1,3-benzothiazol-2-yl)-3-cyano-N,N,N',N'-tetraethylpentanediamide IUPAC Name: 3-(1,3-benzothiazol-2-yl)-3-cyano-N,N,N',N'-tetraethylpentanediamide Traditional Name: 3-(1,3-benzothiazol-2-yl)-3-cyano-N,N,N',N'-tetraethyl-glutaramide Formula: C21H28N4O2S MolecularWeight: 400.53762

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)CC(CC(=O)N(CC)CC)(C#N)C1=NC2=CC=CC=C2S1

Isomeric SMILES

CCN(CC)C(=O)CC(CC(=O)N(CC)CC)(C#N)C1=NC2=CC=CC=C2S1

InChI

InChI=1S/C21H28N4O2S/c1-5-24(6-2)18(26)13-21(15-22,14-19(27)25(7-3)8-4)20-23-16-11-9-10-12-17(16)28-20/h9-12H,5-8,13-14H2,1-4H3