N-[5,6-dimethyl-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-2-(4-fluorophenyl)sulfonyl-ethanamide

Systemtic Name: N-[5,6-dimethyl-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-2-(4-fluorophenyl)sulfonyl-ethanamide Openeye Name: N-[5,6-dimethyl-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-2-(4-fluorophenyl)sulfonyl-acetamide CAS Name: N-[5,6-dimethyl-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]-2-(4-fluorophenyl)sulfonylacetamide IUPAC Name: N-[5,6-dimethyl-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-2-(4-fluorophenyl)sulfonylacetamide Traditional Name: N-[5,6-dimethyl-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]-2-(4-fluorophenyl)sulfonyl-acetamide Formula: C20H21FN2O3S3 MolecularWeight: 452.585743

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)SC(=NC(=O)CS(=O)(=O)C3=CC=C(C=C3)F)N2CCSC

Isomeric SMILES

CC1=CC2=C(C=C1C)SC(=NC(=O)CS(=O)(=O)C3=CC=C(C=C3)F)N2CCSC

InChI

InChI=1S/C20H21FN2O3S3/c1-13-10-17-18(11-14(13)2)28-20(23(17)8-9-27-3)22-19(24)12-29(25,26)16-6-4-15(21)5-7-16/h4-7,10-11H,8-9,12H2,1-3H3