N-(3-methyl-6-methylsulfanyl-1,3-benzothiazol-2-ylidene)-2-(4-propan-2-ylsulfonylphenyl)ethanamide

Systemtic Name: N-(3-methyl-6-methylsulfanyl-1,3-benzothiazol-2-ylidene)-2-(4-propan-2-ylsulfonylphenyl)ethanamide Openeye Name: 2-(4-isopropylsulfonylphenyl)-N-(3-methyl-6-methylsulfanyl-1,3-benzothiazol-2-ylidene)acetamide CAS Name: N-[3-methyl-6-(methylthio)-1,3-benzothiazol-2-ylidene]-2-(4-propan-2-ylsulfonylphenyl)acetamide IUPAC Name: N-(3-methyl-6-methylsulfanyl-1,3-benzothiazol-2-ylidene)-2-(4-propan-2-ylsulfonylphenyl)acetamide Traditional Name: 2-(4-isopropylsulfonylphenyl)-N-[3-methyl-6-(methylthio)-1,3-benzothiazol-2-ylidene]acetamide Formula: C20H22N2O3S3 MolecularWeight: 434.59528

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1=CC=C(C=C1)CC(=O)N=C2N(C3=C(S2)C=C(C=C3)SC)C

Isomeric SMILES

CC(C)S(=O)(=O)C1=CC=C(C=C1)CC(=O)N=C2N(C3=C(S2)C=C(C=C3)SC)C

InChI

InChI=1S/C20H22N2O3S3/c1-13(2)28(24,25)16-8-5-14(6-9-16)11-19(23)21-20-22(3)17-10-7-15(26-4)12-18(17)27-20/h5-10,12-13H,11H2,1-4H3