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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=O)CCC(=O)C(C#N)C2=NC3=CC=CC=C3S2

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=O)CCC(=O)C(C#N)C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C21H19N3O2S/c1-13-7-8-14(2)17(11-13)23-20(26)10-9-18(25)15(12-22)21-24-16-5-3-4-6-19(16)27-21/h3-8,11,15H,9-10H2,1-2H3,(H,23,26)