N-[6-bromanyl-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-2-methyl-propanamide

Systemtic Name: N-[6-bromanyl-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-2-methyl-propanamide Openeye Name: N-[6-bromo-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-2-methyl-propanamide CAS Name: N-[6-bromo-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]-2-methylpropanamide IUPAC Name: N-[6-bromo-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-2-methylpropanamide Traditional Name: N-[6-bromo-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]-2-methyl-propionamide Formula: C14H17BrN2OS2 MolecularWeight: 373.33158

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N=C1N(C2=C(S1)C=C(C=C2)Br)CCSC

Isomeric SMILES

CC(C)C(=O)N=C1N(C2=C(S1)C=C(C=C2)Br)CCSC

InChI

InChI=1S/C14H17BrN2OS2/c1-9(2)13(18)16-14-17(6-7-19-3)11-5-4-10(15)8-12(11)20-14/h4-5,8-9H,6-7H2,1-3H3