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

Systemtic Name: 2-[3-cyano-6-(2-methylpropyl)pyridin-2-yl]sulfanyl-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide Openeye Name: 2-[(3-cyano-6-isobutyl-2-pyridyl)sulfanyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide CAS Name: 2-[[3-cyano-6-(2-methylpropyl)-2-pyridinyl]thio]-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide IUPAC Name: 2-[3-cyano-6-(2-methylpropyl)pyridin-2-yl]sulfanyl-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide Traditional Name: 2-[(3-cyano-6-isobutyl-2-pyridyl)thio]-N-(6-methoxy-1,3-benzothiazol-2-yl)propionamide Formula: C21H22N4O2S2 MolecularWeight: 426.55498

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=NC(=C(C=C1)C#N)SC(C)C(=O)NC2=NC3=C(S2)C=C(C=C3)OC

Isomeric SMILES

CC(C)CC1=NC(=C(C=C1)C#N)SC(C)C(=O)NC2=NC3=C(S2)C=C(C=C3)OC

InChI

InChI=1S/C21H22N4O2S2/c1-12(2)9-15-6-5-14(11-22)20(23-15)28-13(3)19(26)25-21-24-17-8-7-16(27-4)10-18(17)29-21/h5-8,10,12-13H,9H2,1-4H3,(H,24,25,26)