N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-2-(4-methylsulfonylphenyl)-N-(2-thiophen-2-ylethyl)ethanamide

Systemtic Name: N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-2-(4-methylsulfonylphenyl)-N-(2-thiophen-2-ylethyl)ethanamide Openeye Name: N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-2-(4-methylsulfonylphenyl)-N-[2-(2-thienyl)ethyl]acetamide CAS Name: 2-(4-methylsulfonylphenyl)-N-[4-(methylthio)-1,3-benzothiazol-2-yl]-N-(2-thiophen-2-ylethyl)acetamide IUPAC Name: N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-2-(4-methylsulfonylphenyl)-N-(2-thiophen-2-ylethyl)acetamide Traditional Name: 2-(4-mesylphenyl)-N-[4-(methylthio)-1,3-benzothiazol-2-yl]-N-[2-(2-thienyl)ethyl]acetamide Formula: C23H22N2O3S4 MolecularWeight: 502.69238

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC2=C1N=C(S2)N(CCC3=CC=CS3)C(=O)CC4=CC=C(C=C4)S(=O)(=O)C

Isomeric SMILES

CSC1=CC=CC2=C1N=C(S2)N(CCC3=CC=CS3)C(=O)CC4=CC=C(C=C4)S(=O)(=O)C

InChI

InChI=1S/C23H22N2O3S4/c1-29-19-6-3-7-20-22(19)24-23(31-20)25(13-12-17-5-4-14-30-17)21(26)15-16-8-10-18(11-9-16)32(2,27)28/h3-11,14H,12-13,15H2,1-2H3