N-[4,6-bis(fluoranyl)-1,3-benzothiazol-2-yl]-N-(2-dimethylaminoethyl)-4-phenylsulfanyl-butanamide

Systemtic Name: N-[4,6-bis(fluoranyl)-1,3-benzothiazol-2-yl]-N-(2-dimethylaminoethyl)-4-phenylsulfanyl-butanamide Openeye Name: N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-(2-dimethylaminoethyl)-4-phenylsulfanyl-butanamide CAS Name: N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-(2-dimethylaminoethyl)-4-(phenylthio)butanamide IUPAC Name: N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-(2-dimethylaminoethyl)-4-phenylsulfanylbutanamide Traditional Name: N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-(2-dimethylaminoethyl)-4-(phenylthio)butyramide Formula: C21H23F2N3OS2 MolecularWeight: 435.553626

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCN(C1=NC2=C(C=C(C=C2S1)F)F)C(=O)CCCSC3=CC=CC=C3

Isomeric SMILES

CN(C)CCN(C1=NC2=C(C=C(C=C2S1)F)F)C(=O)CCCSC3=CC=CC=C3

InChI

InChI=1S/C21H23F2N3OS2/c1-25(2)10-11-26(19(27)9-6-12-28-16-7-4-3-5-8-16)21-24-20-17(23)13-15(22)14-18(20)29-21/h3-5,7-8,13-14H,6,9-12H2,1-2H3