2-(4-methylphenyl)sulfonyl-N-[2-(2-thiophen-3-ylethylsulfanyl)-1,3-benzothiazol-6-yl]ethanamide

Systemtic Name: 2-(4-methylphenyl)sulfonyl-N-[2-(2-thiophen-3-ylethylsulfanyl)-1,3-benzothiazol-6-yl]ethanamide Openeye Name: 2-(p-tolylsulfonyl)-N-[2-[2-(3-thienyl)ethylsulfanyl]-1,3-benzothiazol-6-yl]acetamide CAS Name: 2-(4-methylphenyl)sulfonyl-N-[2-[2-(3-thiophenyl)ethylthio]-1,3-benzothiazol-6-yl]acetamide IUPAC Name: 2-(4-methylphenyl)sulfonyl-N-[2-(2-thiophen-3-ylethylsulfanyl)-1,3-benzothiazol-6-yl]acetamide Traditional Name: N-[2-[2-(3-thienyl)ethylthio]-1,3-benzothiazol-6-yl]-2-tosyl-acetamide Formula: C22H20N2O3S4 MolecularWeight: 488.6658

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CC(=O)NC2=CC3=C(C=C2)N=C(S3)SCCC4=CSC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CC(=O)NC2=CC3=C(C=C2)N=C(S3)SCCC4=CSC=C4

InChI

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