N-[6-methyl-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-4-(4-methylphenyl)sulfonyl-butanamide

Systemtic Name: N-[6-methyl-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-4-(4-methylphenyl)sulfonyl-butanamide Openeye Name: N-[6-methyl-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-4-(p-tolylsulfonyl)butanamide CAS Name: N-[6-methyl-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]-4-(4-methylphenyl)sulfonylbutanamide IUPAC Name: N-[6-methyl-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-4-(4-methylphenyl)sulfonylbutanamide Traditional Name: N-[6-methyl-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]-4-tosyl-butyramide Formula: C22H26N2O3S3 MolecularWeight: 462.64844

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CCCC(=O)N=C2N(C3=C(S2)C=C(C=C3)C)CCSC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCCC(=O)N=C2N(C3=C(S2)C=C(C=C3)C)CCSC

InChI

InChI=1S/C22H26N2O3S3/c1-16-6-9-18(10-7-16)30(26,27)14-4-5-21(25)23-22-24(12-13-28-3)19-11-8-17(2)15-20(19)29-22/h6-11,15H,4-5,12-14H2,1-3H3