N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-2-(4-methylsulfonylphenyl)-N-(2-thiophen-2-ylethyl)ethanamide

Systemtic Name: N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-2-(4-methylsulfonylphenyl)-N-(2-thiophen-2-ylethyl)ethanamide Openeye Name: N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-2-(4-methylsulfonylphenyl)-N-[2-(2-thienyl)ethyl]acetamide CAS Name: 2-(4-methylsulfonylphenyl)-N-[6-(methylthio)-1,3-benzothiazol-2-yl]-N-(2-thiophen-2-ylethyl)acetamide IUPAC Name: N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-2-(4-methylsulfonylphenyl)-N-(2-thiophen-2-ylethyl)acetamide Traditional Name: 2-(4-mesylphenyl)-N-[6-(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=CC2=C(C=C1)N=C(S2)N(CCC3=CC=CS3)C(=O)CC4=CC=C(C=C4)S(=O)(=O)C

Isomeric SMILES

CSC1=CC2=C(C=C1)N=C(S2)N(CCC3=CC=CS3)C(=O)CC4=CC=C(C=C4)S(=O)(=O)C

InChI

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