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

Systemtic Name: 3-(6-butyl-3-cyano-pyridin-2-yl)sulfanyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)propanamide Openeye Name: 3-[(6-butyl-3-cyano-2-pyridyl)sulfanyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)propanamide CAS Name: 3-[(6-butyl-3-cyano-2-pyridinyl)thio]-N-(6-ethoxy-1,3-benzothiazol-2-yl)propanamide IUPAC Name: 3-(6-butyl-3-cyanopyridin-2-yl)sulfanyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)propanamide Traditional Name: 3-[(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)SCCC(=O)NC2=NC3=C(S2)C=C(C=C3)OCC

Isomeric SMILES

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

InChI

InChI=1S/C22H24N4O2S2/c1-3-5-6-16-8-7-15(14-23)21(24-16)29-12-11-20(27)26-22-25-18-10-9-17(28-4-2)13-19(18)30-22/h7-10,13H,3-6,11-12H2,1-2H3,(H,25,26,27)