5-(1,3-benzothiazol-2-yl)-5-cyano-4-oxidanylidene-N-phenethyl-pentanamide

Systemtic Name: 5-(1,3-benzothiazol-2-yl)-5-cyano-4-oxidanylidene-N-phenethyl-pentanamide Openeye Name: 5-(1,3-benzothiazol-2-yl)-5-cyano-4-oxo-N-phenethyl-pentanamide CAS Name: 5-(1,3-benzothiazol-2-yl)-5-cyano-4-oxo-N-phenethylpentanamide IUPAC Name: 5-(1,3-benzothiazol-2-yl)-5-cyano-4-oxo-N-phenethylpentanamide Traditional Name: 5-(1,3-benzothiazol-2-yl)-5-cyano-4-keto-N-phenethyl-valeramide Formula: C21H19N3O2S MolecularWeight: 377.45946

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC(=O)CCC(=O)C(C#N)C2=NC3=CC=CC=C3S2

Isomeric SMILES

C1=CC=C(C=C1)CCNC(=O)CCC(=O)C(C#N)C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C21H19N3O2S/c22-14-16(21-24-17-8-4-5-9-19(17)27-21)18(25)10-11-20(26)23-13-12-15-6-2-1-3-7-15/h1-9,16H,10-13H2,(H,23,26)