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

Systemtic Name: 2-(3-cyano-6-propyl-pyridin-2-yl)sulfanyl-N-(6-methoxy-1,3-benzothiazol-2-yl)butanamide Openeye Name: 2-[(3-cyano-6-propyl-2-pyridyl)sulfanyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)butanamide CAS Name: 2-[(3-cyano-6-propyl-2-pyridinyl)thio]-N-(6-methoxy-1,3-benzothiazol-2-yl)butanamide IUPAC Name: 2-(3-cyano-6-propylpyridin-2-yl)sulfanyl-N-(6-methoxy-1,3-benzothiazol-2-yl)butanamide Traditional Name: 2-[(3-cyano-6-propyl-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:

CCCC1=NC(=C(C=C1)C#N)SC(CC)C(=O)NC2=NC3=C(S2)C=C(C=C3)OC

Isomeric SMILES

CCCC1=NC(=C(C=C1)C#N)SC(CC)C(=O)NC2=NC3=C(S2)C=C(C=C3)OC

InChI

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