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

Systemtic Name: N-[6-ethyl-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-2-(phenylsulfonyl)ethanamide Openeye Name: 2-(benzenesulfonyl)-N-[6-ethyl-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]acetamide CAS Name: 2-(benzenesulfonyl)-N-[6-ethyl-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]acetamide IUPAC Name: 2-(benzenesulfonyl)-N-[6-ethyl-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]acetamide Traditional Name: 2-besyl-N-[6-ethyl-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]acetamide Formula: C20H22N2O3S3 MolecularWeight: 434.59528

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O3S3/c1-3-15-9-10-17-18(13-15)27-20(22(17)11-12-26-2)21-19(23)14-28(24,25)16-7-5-4-6-8-16/h4-10,13H,3,11-12,14H2,1-2H3