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

Systemtic Name: N-[5,6-dimethyl-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-2-(4-methylphenyl)sulfonyl-ethanamide Openeye Name: N-[5,6-dimethyl-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-2-(p-tolylsulfonyl)acetamide CAS Name: N-[5,6-dimethyl-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]-2-(4-methylphenyl)sulfonylacetamide IUPAC Name: N-[5,6-dimethyl-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-2-(4-methylphenyl)sulfonylacetamide Traditional Name: N-[5,6-dimethyl-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]-2-tosyl-acetamide Formula: C21H24N2O3S3 MolecularWeight: 448.62186

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CC(=O)N=C2N(C3=C(S2)C=C(C(=C3)C)C)CCSC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CC(=O)N=C2N(C3=C(S2)C=C(C(=C3)C)C)CCSC

InChI

InChI=1S/C21H24N2O3S3/c1-14-5-7-17(8-6-14)29(25,26)13-20(24)22-21-23(9-10-27-4)18-11-15(2)16(3)12-19(18)28-21/h5-8,11-12H,9-10,13H2,1-4H3