N-[5,6-dimethyl-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-2-ethylsulfonyl-benzamide

Systemtic Name: N-[5,6-dimethyl-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-2-ethylsulfonyl-benzamide Openeye Name: N-[5,6-dimethyl-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-2-ethylsulfonyl-benzamide CAS Name: N-[5,6-dimethyl-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]-2-ethylsulfonylbenzamide IUPAC Name: N-[5,6-dimethyl-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-2-ethylsulfonylbenzamide Traditional Name: N-[5,6-dimethyl-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]-2-esyl-benzamide Formula: C21H24N2O3S3 MolecularWeight: 448.62186

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC=CC=C1C(=O)N=C2N(C3=C(S2)C=C(C(=C3)C)C)CCSC

Isomeric SMILES

CCS(=O)(=O)C1=CC=CC=C1C(=O)N=C2N(C3=C(S2)C=C(C(=C3)C)C)CCSC

InChI

InChI=1S/C21H24N2O3S3/c1-5-29(25,26)19-9-7-6-8-16(19)20(24)22-21-23(10-11-27-4)17-12-14(2)15(3)13-18(17)28-21/h6-9,12-13H,5,10-11H2,1-4H3