N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-(phenylmethylsulfanyl)ethanamide

Systemtic Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-(phenylmethylsulfanyl)ethanamide Openeye Name: 2-benzylsulfanyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide CAS Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-(phenylmethylthio)acetamide IUPAC Name: 2-benzylsulfanyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide Traditional Name: 2-(benzylthio)-N-(6-mesyl-1,3-benzothiazol-2-yl)acetamide Formula: C17H16N2O3S3 MolecularWeight: 392.51554

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)CSCC3=CC=CC=C3

Isomeric SMILES

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)CSCC3=CC=CC=C3

InChI

InChI=1S/C17H16N2O3S3/c1-25(21,22)13-7-8-14-15(9-13)24-17(18-14)19-16(20)11-23-10-12-5-3-2-4-6-12/h2-9H,10-11H2,1H3,(H,18,19,20)