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

Systemtic Name: N-(1,3-benzothiazol-2-yl)-2-(6-butyl-3-cyano-pyridin-2-yl)sulfanyl-propanamide Openeye Name: N-(1,3-benzothiazol-2-yl)-2-[(6-butyl-3-cyano-2-pyridyl)sulfanyl]propanamide CAS Name: N-(1,3-benzothiazol-2-yl)-2-[(6-butyl-3-cyano-2-pyridinyl)thio]propanamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-2-(6-butyl-3-cyanopyridin-2-yl)sulfanylpropanamide Traditional Name: N-(1,3-benzothiazol-2-yl)-2-[(6-butyl-3-cyano-2-pyridyl)thio]propionamide Formula: C20H20N4OS2 MolecularWeight: 396.529

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(C=C1)C#N)SC(C)C(=O)NC2=NC3=CC=CC=C3S2

Isomeric SMILES

CCCCC1=NC(=C(C=C1)C#N)SC(C)C(=O)NC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C20H20N4OS2/c1-3-4-7-15-11-10-14(12-21)19(22-15)26-13(2)18(25)24-20-23-16-8-5-6-9-17(16)27-20/h5-6,8-11,13H,3-4,7H2,1-2H3,(H,23,24,25)