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

Systemtic Name: N-(3-ethyl-6-methylsulfanyl-1,3-benzothiazol-2-ylidene)-4-(4-methylphenyl)sulfonyl-butanamide Openeye Name: N-(3-ethyl-6-methylsulfanyl-1,3-benzothiazol-2-ylidene)-4-(p-tolylsulfonyl)butanamide CAS Name: N-[3-ethyl-6-(methylthio)-1,3-benzothiazol-2-ylidene]-4-(4-methylphenyl)sulfonylbutanamide IUPAC Name: N-(3-ethyl-6-methylsulfanyl-1,3-benzothiazol-2-ylidene)-4-(4-methylphenyl)sulfonylbutanamide Traditional Name: N-[3-ethyl-6-(methylthio)-1,3-benzothiazol-2-ylidene]-4-tosyl-butyramide Formula: C21H24N2O3S3 MolecularWeight: 448.62186

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)SC)SC1=NC(=O)CCCS(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCN1C2=C(C=C(C=C2)SC)SC1=NC(=O)CCCS(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C21H24N2O3S3/c1-4-23-18-12-9-16(27-3)14-19(18)28-21(23)22-20(24)6-5-13-29(25,26)17-10-7-15(2)8-11-17/h7-12,14H,4-6,13H2,1-3H3