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

Systemtic Name: N-(3-ethyl-6-methylsulfanyl-1,3-benzothiazol-2-ylidene)-4-(4-fluorophenyl)sulfonyl-butanamide Openeye Name: N-(3-ethyl-6-methylsulfanyl-1,3-benzothiazol-2-ylidene)-4-(4-fluorophenyl)sulfonyl-butanamide CAS Name: N-[3-ethyl-6-(methylthio)-1,3-benzothiazol-2-ylidene]-4-(4-fluorophenyl)sulfonylbutanamide IUPAC Name: N-(3-ethyl-6-methylsulfanyl-1,3-benzothiazol-2-ylidene)-4-(4-fluorophenyl)sulfonylbutanamide Traditional Name: N-[3-ethyl-6-(methylthio)-1,3-benzothiazol-2-ylidene]-4-(4-fluorophenyl)sulfonyl-butyramide Formula: C20H21FN2O3S3 MolecularWeight: 452.585743

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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)F

Isomeric SMILES

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

InChI

InChI=1S/C20H21FN2O3S3/c1-3-23-17-11-8-15(27-2)13-18(17)28-20(23)22-19(24)5-4-12-29(25,26)16-9-6-14(21)7-10-16/h6-11,13H,3-5,12H2,1-2H3