N-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-yl-ethyl]-N'-(2-methylsulfanylphenyl)ethanediamide

Systemtic Name: N-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-yl-ethyl]-N'-(2-methylsulfanylphenyl)ethanediamide Openeye Name: N'-(2-methylsulfanylphenyl)-N-[2-(p-tolylsulfonyl)-2-(2-thienyl)ethyl]oxamide CAS Name: N-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]-N'-[2-(methylthio)phenyl]oxamide IUPAC Name: N-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]-N'-(2-methylsulfanylphenyl)oxamide Traditional Name: N'-[2-(methylthio)phenyl]-N-[2-(2-thienyl)-2-tosyl-ethyl]oxamide Formula: C22H22N2O4S3 MolecularWeight: 474.61608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(CNC(=O)C(=O)NC2=CC=CC=C2SC)C3=CC=CS3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C(CNC(=O)C(=O)NC2=CC=CC=C2SC)C3=CC=CS3

InChI

InChI=1S/C22H22N2O4S3/c1-15-9-11-16(12-10-15)31(27,28)20(19-8-5-13-30-19)14-23-21(25)22(26)24-17-6-3-4-7-18(17)29-2/h3-13,20H,14H2,1-2H3,(H,23,25)(H,24,26)