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

Systemtic Name: N-(1,3-benzothiazol-2-yl)-2-[3-cyano-6-(2-methylpropyl)pyridin-2-yl]sulfanyl-butanamide Openeye Name: N-(1,3-benzothiazol-2-yl)-2-[(3-cyano-6-isobutyl-2-pyridyl)sulfanyl]butanamide CAS Name: N-(1,3-benzothiazol-2-yl)-2-[[3-cyano-6-(2-methylpropyl)-2-pyridinyl]thio]butanamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-2-[3-cyano-6-(2-methylpropyl)pyridin-2-yl]sulfanylbutanamide Traditional Name: N-(1,3-benzothiazol-2-yl)-2-[(3-cyano-6-isobutyl-2-pyridyl)thio]butyramide Formula: C21H22N4OS2 MolecularWeight: 410.55558

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=NC2=CC=CC=C2S1)SC3=C(C=CC(=N3)CC(C)C)C#N

Isomeric SMILES

CCC(C(=O)NC1=NC2=CC=CC=C2S1)SC3=C(C=CC(=N3)CC(C)C)C#N

InChI

InChI=1S/C21H22N4OS2/c1-4-17(19(26)25-21-24-16-7-5-6-8-18(16)28-21)27-20-14(12-22)9-10-15(23-20)11-13(2)3/h5-10,13,17H,4,11H2,1-3H3,(H,24,25,26)