N-(1,3-benzothiazol-2-yl)-3-[3-cyano-6-(2-methylpropyl)pyridin-2-yl]sulfanyl-propanamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=NC(=C(C=C1)C#N)SCCC(=O)NC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC(C)CC1=NC(=C(C=C1)C#N)SCCC(=O)NC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C20H20N4OS2/c1-13(2)11-15-8-7-14(12-21)19(22-15)26-10-9-18(25)24-20-23-16-5-3-4-6-17(16)27-20/h3-8,13H,9-11H2,1-2H3,(H,23,24,25)