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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)NC(=O)CCSC3=C(C=CC(=N3)CC(C)C)C#N

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)NC(=O)CCSC3=C(C=CC(=N3)CC(C)C)C#N

InChI

InChI=1S/C21H22N4OS2/c1-13(2)10-16-6-5-15(12-22)20(23-16)27-9-8-19(26)25-21-24-17-7-4-14(3)11-18(17)28-21/h4-7,11,13H,8-10H2,1-3H3,(H,24,25,26)