N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-3-methylsulfonyl-N-(2-thiophen-2-ylethyl)benzamide

Systemtic Name: N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-3-methylsulfonyl-N-(2-thiophen-2-ylethyl)benzamide Openeye Name: N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-3-methylsulfonyl-N-[2-(2-thienyl)ethyl]benzamide CAS Name: 3-methylsulfonyl-N-[6-(methylthio)-1,3-benzothiazol-2-yl]-N-(2-thiophen-2-ylethyl)benzamide IUPAC Name: N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-3-methylsulfonyl-N-(2-thiophen-2-ylethyl)benzamide Traditional Name: 3-mesyl-N-[6-(methylthio)-1,3-benzothiazol-2-yl]-N-[2-(2-thienyl)ethyl]benzamide Formula: C22H20N2O3S4 MolecularWeight: 488.6658

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20N2O3S4/c1-28-17-8-9-19-20(14-17)30-22(23-19)24(11-10-16-6-4-12-29-16)21(25)15-5-3-7-18(13-15)31(2,26)27/h3-9,12-14H,10-11H2,1-2H3