N-[3-(2-methylsulfanylethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]-2-(4-propan-2-ylphenyl)ethanamide

Systemtic Name: N-[3-(2-methylsulfanylethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]-2-(4-propan-2-ylphenyl)ethanamide Openeye Name: 2-(4-isopropylphenyl)-N-[3-(2-methylsulfanylethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]acetamide CAS Name: N-[6-methylsulfonyl-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]-2-(4-propan-2-ylphenyl)acetamide IUPAC Name: N-[3-(2-methylsulfanylethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]-2-(4-propan-2-ylphenyl)acetamide Traditional Name: N-[6-mesyl-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]-2-p-cumenyl-acetamide Formula: C22H26N2O3S3 MolecularWeight: 462.64844

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O3S3/c1-15(2)17-7-5-16(6-8-17)13-21(25)23-22-24(11-12-28-3)19-10-9-18(30(4,26)27)14-20(19)29-22/h5-10,14-15H,11-13H2,1-4H3