N-[3-(dimethylamino)propyl]-4-ethoxy-N-(4-fluoranyl-1,3-benzothiazol-2-yl)benzamide

Systemtic Name: N-[3-(dimethylamino)propyl]-4-ethoxy-N-(4-fluoranyl-1,3-benzothiazol-2-yl)benzamide Openeye Name: N-[3-(dimethylamino)propyl]-4-ethoxy-N-(4-fluoro-1,3-benzothiazol-2-yl)benzamide CAS Name: N-[3-(dimethylamino)propyl]-4-ethoxy-N-(4-fluoro-1,3-benzothiazol-2-yl)benzamide IUPAC Name: N-[3-(dimethylamino)propyl]-4-ethoxy-N-(4-fluoro-1,3-benzothiazol-2-yl)benzamide Traditional Name: N-[3-(dimethylamino)propyl]-4-ethoxy-N-(4-fluoro-1,3-benzothiazol-2-yl)benzamide Formula: C21H24FN3O2S MolecularWeight: 401.497563

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)N(CCCN(C)C)C2=NC3=C(C=CC=C3S2)F

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)N(CCCN(C)C)C2=NC3=C(C=CC=C3S2)F

InChI

InChI=1S/C21H24FN3O2S/c1-4-27-16-11-9-15(10-12-16)20(26)25(14-6-13-24(2)3)21-23-19-17(22)7-5-8-18(19)28-21/h5,7-12H,4,6,13-14H2,1-3H3