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

Systemtic Name: 2-(4-methylphenyl)sulfonyl-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)ethanamide Openeye Name: N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-2-(p-tolylsulfonyl)acetamide CAS Name: 2-(4-methylphenyl)sulfonyl-N-[2-(methylthio)-1,3-benzothiazol-6-yl]acetamide IUPAC Name: 2-(4-methylphenyl)sulfonyl-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)acetamide Traditional Name: N-[2-(methylthio)-1,3-benzothiazol-6-yl]-2-tosyl-acetamide Formula: C17H16N2O3S3 MolecularWeight: 392.51554

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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)SC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CC(=O)NC2=CC3=C(C=C2)N=C(S3)SC

InChI

InChI=1S/C17H16N2O3S3/c1-11-3-6-13(7-4-11)25(21,22)10-16(20)18-12-5-8-14-15(9-12)24-17(19-14)23-2/h3-9H,10H2,1-2H3,(H,18,20)