2-[(5-chloranyl-1,3-benzothiazol-2-yl)sulfanyl]-N-(2-cyano-3-methyl-butan-2-yl)propanamide

Systemtic Name: 2-[(5-chloranyl-1,3-benzothiazol-2-yl)sulfanyl]-N-(2-cyano-3-methyl-butan-2-yl)propanamide Openeye Name: 2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N-(1-cyano-1,2-dimethyl-propyl)propanamide CAS Name: 2-[(5-chloro-1,3-benzothiazol-2-yl)thio]-N-(2-cyano-3-methylbutan-2-yl)propanamide IUPAC Name: 2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N-(2-cyano-3-methylbutan-2-yl)propanamide Traditional Name: 2-[(5-chloro-1,3-benzothiazol-2-yl)thio]-N-(1-cyano-1,2-dimethyl-propyl)propionamide Formula: C16H18ClN3OS2 MolecularWeight: 367.91662

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)(C#N)NC(=O)C(C)SC1=NC2=C(S1)C=CC(=C2)Cl

Isomeric SMILES

CC(C)C(C)(C#N)NC(=O)C(C)SC1=NC2=C(S1)C=CC(=C2)Cl

InChI

InChI=1S/C16H18ClN3OS2/c1-9(2)16(4,8-18)20-14(21)10(3)22-15-19-12-7-11(17)5-6-13(12)23-15/h5-7,9-10H,1-4H3,(H,20,21)