2-(1,3-benzothiazol-2-ylsulfanyl)-N-(2-cyano-3-methyl-butan-2-yl)propanamide

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(2-cyano-3-methyl-butan-2-yl)propanamide Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(1-cyano-1,2-dimethyl-propyl)propanamide CAS Name: 2-(1,3-benzothiazol-2-ylthio)-N-(2-cyano-3-methylbutan-2-yl)propanamide IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(2-cyano-3-methylbutan-2-yl)propanamide Traditional Name: 2-(1,3-benzothiazol-2-ylthio)-N-(1-cyano-1,2-dimethyl-propyl)propionamide Formula: C16H19N3OS2 MolecularWeight: 333.47156

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)(C#N)NC(=O)C(C)SC1=NC2=CC=CC=C2S1

Isomeric SMILES

CC(C)C(C)(C#N)NC(=O)C(C)SC1=NC2=CC=CC=C2S1

InChI

InChI=1S/C16H19N3OS2/c1-10(2)16(4,9-17)19-14(20)11(3)21-15-18-12-7-5-6-8-13(12)22-15/h5-8,10-11H,1-4H3,(H,19,20)