N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-4-methylsulfonyl-N-(2-thiophen-2-ylethyl)benzamide

Systemtic Name: N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-4-methylsulfonyl-N-(2-thiophen-2-ylethyl)benzamide Openeye Name: N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-4-methylsulfonyl-N-[2-(2-thienyl)ethyl]benzamide CAS Name: 4-methylsulfonyl-N-[4-(methylthio)-1,3-benzothiazol-2-yl]-N-(2-thiophen-2-ylethyl)benzamide IUPAC Name: N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-4-methylsulfonyl-N-(2-thiophen-2-ylethyl)benzamide Traditional Name: 4-mesyl-N-[4-(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=CC=CC2=C1N=C(S2)N(CCC3=CC=CS3)C(=O)C4=CC=C(C=C4)S(=O)(=O)C

Isomeric SMILES

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

InChI

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