2-(3-cyano-6-propyl-pyridin-2-yl)sulfanyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)propanamide

Systemtic Name: 2-(3-cyano-6-propyl-pyridin-2-yl)sulfanyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)propanamide Openeye Name: 2-[(3-cyano-6-propyl-2-pyridyl)sulfanyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)propanamide CAS Name: 2-[(3-cyano-6-propyl-2-pyridinyl)thio]-N-(6-ethoxy-1,3-benzothiazol-2-yl)propanamide IUPAC Name: 2-(3-cyano-6-propylpyridin-2-yl)sulfanyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)propanamide Traditional Name: 2-[(3-cyano-6-propyl-2-pyridyl)thio]-N-(6-ethoxy-1,3-benzothiazol-2-yl)propionamide Formula: C21H22N4O2S2 MolecularWeight: 426.55498

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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