N-[3-[[5-(2-ethylphenyl)carbonyl-1,3-thiazol-2-yl]amino]propyl]-4-fluoranyl-benzamide

Systemtic Name: N-[3-[[5-(2-ethylphenyl)carbonyl-1,3-thiazol-2-yl]amino]propyl]-4-fluoranyl-benzamide Openeye Name: N-[3-[[5-(2-ethylbenzoyl)thiazol-2-yl]amino]propyl]-4-fluoro-benzamide CAS Name: N-[3-[[5-[(2-ethylphenyl)-oxomethyl]-2-thiazolyl]amino]propyl]-4-fluorobenzamide IUPAC Name: N-[3-[[5-(2-ethylbenzoyl)-1,3-thiazol-2-yl]amino]propyl]-4-fluorobenzamide Traditional Name: N-[3-[[5-(2-ethylbenzoyl)thiazol-2-yl]amino]propyl]-4-fluoro-benzamide Formula: C22H22FN3O2S MolecularWeight: 411.492383

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1C(=O)C2=CN=C(S2)NCCCNC(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CCC1=CC=CC=C1C(=O)C2=CN=C(S2)NCCCNC(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C22H22FN3O2S/c1-2-15-6-3-4-7-18(15)20(27)19-14-26-22(29-19)25-13-5-12-24-21(28)16-8-10-17(23)11-9-16/h3-4,6-11,14H,2,5,12-13H2,1H3,(H,24,28)(H,25,26)