N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-2-(phenylmethyl)sulfonyl-ethanamide

Systemtic Name: N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-2-(phenylmethyl)sulfonyl-ethanamide Openeye Name: 2-benzylsulfonyl-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)acetamide CAS Name: N-[2-(methylthio)-1,3-benzothiazol-6-yl]-2-(phenylmethyl)sulfonylacetamide IUPAC Name: 2-benzylsulfonyl-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)acetamide Traditional Name: 2-benzylsulfonyl-N-[2-(methylthio)-1,3-benzothiazol-6-yl]acetamide Formula: C17H16N2O3S3 MolecularWeight: 392.51554

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=C(S1)C=C(C=C2)NC(=O)CS(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

CSC1=NC2=C(S1)C=C(C=C2)NC(=O)CS(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C17H16N2O3S3/c1-23-17-19-14-8-7-13(9-15(14)24-17)18-16(20)11-25(21,22)10-12-5-3-2-4-6-12/h2-9H,10-11H2,1H3,(H,18,20)