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

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

CCC1=CC2=C(C=C1)N(C(=NC(=O)CS(=O)(=O)C3=CC=C(C=C3)C)S2)CCSC

Isomeric SMILES

CCC1=CC2=C(C=C1)N(C(=NC(=O)CS(=O)(=O)C3=CC=C(C=C3)C)S2)CCSC

InChI

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