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

Systemtic Name: 2-(4-methylphenyl)sulfonyl-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-N-(2-thiophen-2-ylethyl)ethanamide Openeye Name: N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-2-(p-tolylsulfonyl)-N-[2-(2-thienyl)ethyl]acetamide CAS Name: 2-(4-methylphenyl)sulfonyl-N-[6-(methylthio)-1,3-benzothiazol-2-yl]-N-(2-thiophen-2-ylethyl)acetamide IUPAC Name: 2-(4-methylphenyl)sulfonyl-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-N-(2-thiophen-2-ylethyl)acetamide Traditional Name: N-[6-(methylthio)-1,3-benzothiazol-2-yl]-N-[2-(2-thienyl)ethyl]-2-tosyl-acetamide Formula: C23H22N2O3S4 MolecularWeight: 502.69238

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CC(=O)N(CCC2=CC=CS2)C3=NC4=C(S3)C=C(C=C4)SC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CC(=O)N(CCC2=CC=CS2)C3=NC4=C(S3)C=C(C=C4)SC

InChI

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