5-[[2-(1,3-benzothiazol-2-ylmethyl)-2-ethyl-butanoyl]amino]-2-fluoranyl-benzamide

Systemtic Name: 5-[[2-(1,3-benzothiazol-2-ylmethyl)-2-ethyl-butanoyl]amino]-2-fluoranyl-benzamide Openeye Name: 5-[[2-(1,3-benzothiazol-2-ylmethyl)-2-ethyl-butanoyl]amino]-2-fluoro-benzamide CAS Name: 5-[[2-(1,3-benzothiazol-2-ylmethyl)-2-ethyl-1-oxobutyl]amino]-2-fluorobenzamide IUPAC Name: 5-[[2-(1,3-benzothiazol-2-ylmethyl)-2-ethylbutanoyl]amino]-2-fluorobenzamide Traditional Name: 5-[[2-(1,3-benzothiazol-2-ylmethyl)-2-ethyl-butanoyl]amino]-2-fluoro-benzamide Formula: C21H22FN3O2S MolecularWeight: 399.481683

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(CC1=NC2=CC=CC=C2S1)C(=O)NC3=CC(=C(C=C3)F)C(=O)N

Isomeric SMILES

CCC(CC)(CC1=NC2=CC=CC=C2S1)C(=O)NC3=CC(=C(C=C3)F)C(=O)N

InChI

InChI=1S/C21H22FN3O2S/c1-3-21(4-2,12-18-25-16-7-5-6-8-17(16)28-18)20(27)24-13-9-10-15(22)14(11-13)19(23)26/h5-11H,3-4,12H2,1-2H3,(H2,23,26)(H,24,27)