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

Systemtic Name: N-[6-ethyl-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-2-(phenylmethyl)sulfonyl-ethanamide Openeye Name: 2-benzylsulfonyl-N-[6-ethyl-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]acetamide CAS Name: N-[6-ethyl-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]-2-(phenylmethyl)sulfonylacetamide IUPAC Name: 2-benzylsulfonyl-N-[6-ethyl-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]acetamide Traditional Name: 2-benzylsulfonyl-N-[6-ethyl-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]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)CC3=CC=CC=C3)S2)CCSC

Isomeric SMILES

CCC1=CC2=C(C=C1)N(C(=NC(=O)CS(=O)(=O)CC3=CC=CC=C3)S2)CCSC

InChI

InChI=1S/C21H24N2O3S3/c1-3-16-9-10-18-19(13-16)28-21(23(18)11-12-27-2)22-20(24)15-29(25,26)14-17-7-5-4-6-8-17/h4-10,13H,3,11-12,14-15H2,1-2H3