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

Systemtic Name: N-(3-methyl-6-methylsulfanyl-1,3-benzothiazol-2-ylidene)-4-(4-methylphenyl)sulfonyl-butanamide Openeye Name: N-(3-methyl-6-methylsulfanyl-1,3-benzothiazol-2-ylidene)-4-(p-tolylsulfonyl)butanamide CAS Name: N-[3-methyl-6-(methylthio)-1,3-benzothiazol-2-ylidene]-4-(4-methylphenyl)sulfonylbutanamide IUPAC Name: N-(3-methyl-6-methylsulfanyl-1,3-benzothiazol-2-ylidene)-4-(4-methylphenyl)sulfonylbutanamide Traditional Name: N-[3-methyl-6-(methylthio)-1,3-benzothiazol-2-ylidene]-4-tosyl-butyramide Formula: C20H22N2O3S3 MolecularWeight: 434.59528

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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)SC)C

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O3S3/c1-14-6-9-16(10-7-14)28(24,25)12-4-5-19(23)21-20-22(2)17-11-8-15(26-3)13-18(17)27-20/h6-11,13H,4-5,12H2,1-3H3