2-(3-cyano-4,5,6-trimethyl-pyridin-2-yl)sulfanyl-N-(6-methoxy-1,3-benzothiazol-2-yl)butanamide

Systemtic Name: 2-(3-cyano-4,5,6-trimethyl-pyridin-2-yl)sulfanyl-N-(6-methoxy-1,3-benzothiazol-2-yl)butanamide Openeye Name: 2-[(3-cyano-4,5,6-trimethyl-2-pyridyl)sulfanyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)butanamide CAS Name: 2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)thio]-N-(6-methoxy-1,3-benzothiazol-2-yl)butanamide IUPAC Name: 2-(3-cyano-4,5,6-trimethylpyridin-2-yl)sulfanyl-N-(6-methoxy-1,3-benzothiazol-2-yl)butanamide Traditional Name: 2-[(3-cyano-4,5,6-trimethyl-2-pyridyl)thio]-N-(6-methoxy-1,3-benzothiazol-2-yl)butyramide Formula: C21H22N4O2S2 MolecularWeight: 426.55498

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=NC2=C(S1)C=C(C=C2)OC)SC3=NC(=C(C(=C3C#N)C)C)C

Isomeric SMILES

CCC(C(=O)NC1=NC2=C(S1)C=C(C=C2)OC)SC3=NC(=C(C(=C3C#N)C)C)C

InChI

InChI=1S/C21H22N4O2S2/c1-6-17(28-20-15(10-22)12(3)11(2)13(4)23-20)19(26)25-21-24-16-8-7-14(27-5)9-18(16)29-21/h7-9,17H,6H2,1-5H3,(H,24,25,26)