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

Systemtic Name: 2-[3-cyano-6-(2-methylpropyl)pyridin-2-yl]sulfanyl-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide Openeye Name: 2-[(3-cyano-6-isobutyl-2-pyridyl)sulfanyl]-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide CAS Name: 2-[[3-cyano-6-(2-methylpropyl)-2-pyridinyl]thio]-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide IUPAC Name: 2-[3-cyano-6-(2-methylpropyl)pyridin-2-yl]sulfanyl-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide Traditional Name: 2-[(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)C(C)SC3=C(C=CC(=N3)CC(C)C)C#N

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)NC(=O)C(C)SC3=C(C=CC(=N3)CC(C)C)C#N

InChI

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