N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-2-(4-methylsulfonylphenyl)-N-(phenylmethyl)ethanamide

Systemtic Name: N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-2-(4-methylsulfonylphenyl)-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-2-(4-methylsulfonylphenyl)acetamide CAS Name: 2-(4-methylsulfonylphenyl)-N-[6-(methylthio)-1,3-benzothiazol-2-yl]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-2-(4-methylsulfonylphenyl)acetamide Traditional Name: N-benzyl-2-(4-mesylphenyl)-N-[6-(methylthio)-1,3-benzothiazol-2-yl]acetamide Formula: C24H22N2O3S3 MolecularWeight: 482.63808

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC2=C(C=C1)N=C(S2)N(CC3=CC=CC=C3)C(=O)CC4=CC=C(C=C4)S(=O)(=O)C

Isomeric SMILES

CSC1=CC2=C(C=C1)N=C(S2)N(CC3=CC=CC=C3)C(=O)CC4=CC=C(C=C4)S(=O)(=O)C

InChI

InChI=1S/C24H22N2O3S3/c1-30-19-10-13-21-22(15-19)31-24(25-21)26(16-18-6-4-3-5-7-18)23(27)14-17-8-11-20(12-9-17)32(2,28)29/h3-13,15H,14,16H2,1-2H3