3-acetamido-N-[6-[bis(fluoranyl)methylsulfanyl]-1,3-benzothiazol-2-yl]propanamide

Systemtic Name: 3-acetamido-N-[6-[bis(fluoranyl)methylsulfanyl]-1,3-benzothiazol-2-yl]propanamide Openeye Name: 3-acetamido-N-[6-(difluoromethylsulfanyl)-1,3-benzothiazol-2-yl]propanamide CAS Name: 3-acetamido-N-[6-(difluoromethylthio)-1,3-benzothiazol-2-yl]propanamide IUPAC Name: 3-acetamido-N-[6-(difluoromethylsulfanyl)-1,3-benzothiazol-2-yl]propanamide Traditional Name: 3-acetamido-N-[6-(difluoromethylthio)-1,3-benzothiazol-2-yl]propionamide Formula: C13H13F2N3O2S2 MolecularWeight: 345.388026

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCC(=O)NC1=NC2=C(S1)C=C(C=C2)SC(F)F

Isomeric SMILES

CC(=O)NCCC(=O)NC1=NC2=C(S1)C=C(C=C2)SC(F)F

InChI

InChI=1S/C13H13F2N3O2S2/c1-7(19)16-5-4-11(20)18-13-17-9-3-2-8(21-12(14)15)6-10(9)22-13/h2-3,6,12H,4-5H2,1H3,(H,16,19)(H,17,18,20)