N-[6-[bis(fluoranyl)methylsulfanyl]-1,3-benzothiazol-2-yl]-4-butoxy-benzamide

Systemtic Name: N-[6-[bis(fluoranyl)methylsulfanyl]-1,3-benzothiazol-2-yl]-4-butoxy-benzamide Openeye Name: 4-butoxy-N-[6-(difluoromethylsulfanyl)-1,3-benzothiazol-2-yl]benzamide CAS Name: 4-butoxy-N-[6-(difluoromethylthio)-1,3-benzothiazol-2-yl]benzamide IUPAC Name: 4-butoxy-N-[6-(difluoromethylsulfanyl)-1,3-benzothiazol-2-yl]benzamide Traditional Name: 4-butoxy-N-[6-(difluoromethylthio)-1,3-benzothiazol-2-yl]benzamide Formula: C19H18F2N2O2S2 MolecularWeight: 408.485226

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)NC2=NC3=C(S2)C=C(C=C3)SC(F)F

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)NC2=NC3=C(S2)C=C(C=C3)SC(F)F

InChI

InChI=1S/C19H18F2N2O2S2/c1-2-3-10-25-13-6-4-12(5-7-13)17(24)23-19-22-15-9-8-14(26-18(20)21)11-16(15)27-19/h4-9,11,18H,2-3,10H2,1H3,(H,22,23,24)