N-[5,6-dimethoxy-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-4-(4-fluorophenyl)sulfanyl-butanamide

Systemtic Name: N-[5,6-dimethoxy-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-4-(4-fluorophenyl)sulfanyl-butanamide Openeye Name: N-[5,6-dimethoxy-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-4-(4-fluorophenyl)sulfanyl-butanamide CAS Name: N-[5,6-dimethoxy-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]-4-[(4-fluorophenyl)thio]butanamide IUPAC Name: N-[5,6-dimethoxy-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-4-(4-fluorophenyl)sulfanylbutanamide Traditional Name: N-[5,6-dimethoxy-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]-4-[(4-fluorophenyl)thio]butyramide Formula: C22H25FN2O3S3 MolecularWeight: 480.638903

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)N(C(=NC(=O)CCCSC3=CC=C(C=C3)F)S2)CCSC)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)N(C(=NC(=O)CCCSC3=CC=C(C=C3)F)S2)CCSC)OC

InChI

InChI=1S/C22H25FN2O3S3/c1-27-18-13-17-20(14-19(18)28-2)31-22(25(17)10-12-29-3)24-21(26)5-4-11-30-16-8-6-15(23)7-9-16/h6-9,13-14H,4-5,10-12H2,1-3H3