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

Systemtic Name: 2-(6-butyl-3-cyano-pyridin-2-yl)sulfanyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)propanamide Openeye Name: 2-[(6-butyl-3-cyano-2-pyridyl)sulfanyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)propanamide CAS Name: 2-[(6-butyl-3-cyano-2-pyridinyl)thio]-N-(6-ethoxy-1,3-benzothiazol-2-yl)propanamide IUPAC Name: 2-(6-butyl-3-cyanopyridin-2-yl)sulfanyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)propanamide Traditional Name: 2-[(6-butyl-3-cyano-2-pyridyl)thio]-N-(6-ethoxy-1,3-benzothiazol-2-yl)propionamide Formula: C22H24N4O2S2 MolecularWeight: 440.58156

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(C=C1)C#N)SC(C)C(=O)NC2=NC3=C(S2)C=C(C=C3)OCC

Isomeric SMILES

CCCCC1=NC(=C(C=C1)C#N)SC(C)C(=O)NC2=NC3=C(S2)C=C(C=C3)OCC

InChI

InChI=1S/C22H24N4O2S2/c1-4-6-7-16-9-8-15(13-23)21(24-16)29-14(3)20(27)26-22-25-18-11-10-17(28-5-2)12-19(18)30-22/h8-12,14H,4-7H2,1-3H3,(H,25,26,27)