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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1C(=O)C2=CN=C(S2)NCCCNC(=O)C3=CC=CC=C3F

Isomeric SMILES

CCC1=CC=CC=C1C(=O)C2=CN=C(S2)NCCCNC(=O)C3=CC=CC=C3F

InChI

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