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

Systemtic Name: 2-(3-cyano-6-propyl-pyridin-2-yl)sulfanyl-N-(6-methyl-1,3-benzothiazol-2-yl)butanamide Openeye Name: 2-[(3-cyano-6-propyl-2-pyridyl)sulfanyl]-N-(6-methyl-1,3-benzothiazol-2-yl)butanamide CAS Name: 2-[(3-cyano-6-propyl-2-pyridinyl)thio]-N-(6-methyl-1,3-benzothiazol-2-yl)butanamide IUPAC Name: 2-(3-cyano-6-propylpyridin-2-yl)sulfanyl-N-(6-methyl-1,3-benzothiazol-2-yl)butanamide Traditional Name: 2-[(3-cyano-6-propyl-2-pyridyl)thio]-N-(6-methyl-1,3-benzothiazol-2-yl)butyramide Formula: C21H22N4OS2 MolecularWeight: 410.55558

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C21H22N4OS2/c1-4-6-15-9-8-14(12-22)20(23-15)27-17(5-2)19(26)25-21-24-16-10-7-13(3)11-18(16)28-21/h7-11,17H,4-6H2,1-3H3,(H,24,25,26)