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

Systemtic Name: N-[4,6-bis(fluoranyl)-1,3-benzothiazol-2-yl]-4-cyano-N-(2-diethylaminoethyl)benzamide Openeye Name: 4-cyano-N-(2-diethylaminoethyl)-N-(4,6-difluoro-1,3-benzothiazol-2-yl)benzamide CAS Name: 4-cyano-N-(2-diethylaminoethyl)-N-(4,6-difluoro-1,3-benzothiazol-2-yl)benzamide IUPAC Name: 4-cyano-N-(2-diethylaminoethyl)-N-(4,6-difluoro-1,3-benzothiazol-2-yl)benzamide Traditional Name: 4-cyano-N-(2-diethylaminoethyl)-N-(4,6-difluoro-1,3-benzothiazol-2-yl)benzamide Formula: C21H20F2N4OS MolecularWeight: 414.471506

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCN(C1=NC2=C(C=C(C=C2S1)F)F)C(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

CCN(CC)CCN(C1=NC2=C(C=C(C=C2S1)F)F)C(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C21H20F2N4OS/c1-3-26(4-2)9-10-27(20(28)15-7-5-14(13-24)6-8-15)21-25-19-17(23)11-16(22)12-18(19)29-21/h5-8,11-12H,3-4,9-10H2,1-2H3