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

Systemtic Name: 3-[3-cyano-6-(2-methylpropyl)pyridin-2-yl]sulfanyl-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide Openeye Name: 3-[(3-cyano-6-isobutyl-2-pyridyl)sulfanyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide CAS Name: 3-[[3-cyano-6-(2-methylpropyl)-2-pyridinyl]thio]-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide IUPAC Name: 3-[3-cyano-6-(2-methylpropyl)pyridin-2-yl]sulfanyl-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide Traditional Name: 3-[(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)SCCC(=O)NC2=NC3=C(S2)C=C(C=C3)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H22N4O2S2/c1-13(2)10-15-5-4-14(12-22)20(23-15)28-9-8-19(26)25-21-24-17-7-6-16(27-3)11-18(17)29-21/h4-7,11,13H,8-10H2,1-3H3,(H,24,25,26)