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

Systemtic Name: N-[6-fluoranyl-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-4-(4-methoxyphenyl)sulfanyl-butanamide Openeye Name: N-[6-fluoro-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-4-(4-methoxyphenyl)sulfanyl-butanamide CAS Name: N-[6-fluoro-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]-4-[(4-methoxyphenyl)thio]butanamide IUPAC Name: N-[6-fluoro-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-4-(4-methoxyphenyl)sulfanylbutanamide Traditional Name: N-[6-fluoro-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]-4-[(4-methoxyphenyl)thio]butyramide Formula: C21H23FN2O2S3 MolecularWeight: 450.612923

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)SCCCC(=O)N=C2N(C3=C(S2)C=C(C=C3)F)CCSC

Isomeric SMILES

COC1=CC=C(C=C1)SCCCC(=O)N=C2N(C3=C(S2)C=C(C=C3)F)CCSC

InChI

InChI=1S/C21H23FN2O2S3/c1-26-16-6-8-17(9-7-16)28-12-3-4-20(25)23-21-24(11-13-27-2)18-10-5-15(22)14-19(18)29-21/h5-10,14H,3-4,11-13H2,1-2H3