(2S)-N-(1,3-benzothiazol-2-yl)-2-bromanyl-3-methyl-butanamide

Systemtic Name: (2S)-N-(1,3-benzothiazol-2-yl)-2-bromanyl-3-methyl-butanamide Openeye Name: (2S)-N-(1,3-benzothiazol-2-yl)-2-bromo-3-methyl-butanamide CAS Name: (2S)-N-(1,3-benzothiazol-2-yl)-2-bromo-3-methylbutanamide IUPAC Name: (2S)-N-(1,3-benzothiazol-2-yl)-2-bromo-3-methylbutanamide Traditional Name: (2S)-N-(1,3-benzothiazol-2-yl)-2-bromo-3-methyl-butyramide Formula: C12H13BrN2OS MolecularWeight: 313.21342

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC1=NC2=CC=CC=C2S1)Br

Isomeric SMILES

CC(C)[C@@H](C(=O)NC1=NC2=CC=CC=C2S1)Br

InChI

InChI=1S/C12H13BrN2OS/c1-7(2)10(13)11(16)15-12-14-8-5-3-4-6-9(8)17-12/h3-7,10H,1-2H3,(H,14,15,16)/t10-/m0/s1