N-[3-(dimethylamino)propyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-fluoranyl-benzamide

Systemtic Name: N-[3-(dimethylamino)propyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-fluoranyl-benzamide Openeye Name: N-[3-(dimethylamino)propyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-fluoro-benzamide CAS Name: N-[3-(dimethylamino)propyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-fluorobenzamide IUPAC Name: N-[3-(dimethylamino)propyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-fluorobenzamide Traditional Name: N-[3-(dimethylamino)propyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-fluoro-benzamide Formula: C21H24FN3O2S MolecularWeight: 401.497563

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)N(CCCN(C)C)C(=O)C3=CC(=CC=C3)F

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)N(CCCN(C)C)C(=O)C3=CC(=CC=C3)F

InChI

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