N-[6-bromanyl-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-4-(4-fluorophenyl)sulfanyl-butanamide

Systemtic Name: N-[6-bromanyl-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-4-(4-fluorophenyl)sulfanyl-butanamide Openeye Name: N-[6-bromo-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-4-(4-fluorophenyl)sulfanyl-butanamide CAS Name: N-[6-bromo-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]-4-[(4-fluorophenyl)thio]butanamide IUPAC Name: N-[6-bromo-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-4-(4-fluorophenyl)sulfanylbutanamide Traditional Name: N-[6-bromo-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]-4-[(4-fluorophenyl)thio]butyramide Formula: C20H20BrFN2OS3 MolecularWeight: 499.483003

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Descriptors Computed from Structure

Canonical SMILES:

CSCCN1C2=C(C=C(C=C2)Br)SC1=NC(=O)CCCSC3=CC=C(C=C3)F

Isomeric SMILES

CSCCN1C2=C(C=C(C=C2)Br)SC1=NC(=O)CCCSC3=CC=C(C=C3)F

InChI

InChI=1S/C20H20BrFN2OS3/c1-26-12-10-24-17-9-4-14(21)13-18(17)28-20(24)23-19(25)3-2-11-27-16-7-5-15(22)6-8-16/h4-9,13H,2-3,10-12H2,1H3