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

Systemtic Name: N-[5,6-dimethyl-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-2-(4-methylphenyl)sulfanyl-ethanamide Openeye Name: N-[5,6-dimethyl-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-2-(p-tolylsulfanyl)acetamide CAS Name: N-[5,6-dimethyl-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]-2-[(4-methylphenyl)thio]acetamide IUPAC Name: N-[5,6-dimethyl-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-2-(4-methylphenyl)sulfanylacetamide Traditional Name: N-[5,6-dimethyl-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]-2-(p-tolylthio)acetamide Formula: C21H24N2OS3 MolecularWeight: 416.62306

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2OS3/c1-14-5-7-17(8-6-14)26-13-20(24)22-21-23(9-10-25-4)18-11-15(2)16(3)12-19(18)27-21/h5-8,11-12H,9-10,13H2,1-4H3