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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17BrN2OS2/c1-3-4-13(18)16-14-17(7-8-19-2)11-6-5-10(15)9-12(11)20-14/h5-6,9H,3-4,7-8H2,1-2H3