2-(4-methylphenyl)sulfanyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)ethanamide

Systemtic Name: 2-(4-methylphenyl)sulfanyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)ethanamide Openeye Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-(p-tolylsulfanyl)acetamide CAS Name: 2-[(4-methylphenyl)thio]-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide IUPAC Name: 2-(4-methylphenyl)sulfanyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide Traditional Name: N-(6-mesyl-1,3-benzothiazol-2-yl)-2-(p-tolylthio)acetamide Formula: C17H16N2O3S3 MolecularWeight: 392.51554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC(=O)NC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)SCC(=O)NC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)C

InChI

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