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

Systemtic Name: N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-2-(phenylsulfonyl)-N-(2-thiophen-2-ylethyl)ethanamide Openeye Name: 2-(benzenesulfonyl)-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-N-[2-(2-thienyl)ethyl]acetamide CAS Name: 2-(benzenesulfonyl)-N-[6-(methylthio)-1,3-benzothiazol-2-yl]-N-(2-thiophen-2-ylethyl)acetamide IUPAC Name: 2-(benzenesulfonyl)-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-N-(2-thiophen-2-ylethyl)acetamide Traditional Name: 2-besyl-N-[6-(methylthio)-1,3-benzothiazol-2-yl]-N-[2-(2-thienyl)ethyl]acetamide 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)CS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C22H20N2O3S4/c1-28-17-9-10-19-20(14-17)30-22(23-19)24(12-11-16-6-5-13-29-16)21(25)15-31(26,27)18-7-3-2-4-8-18/h2-10,13-14H,11-12,15H2,1H3