N-[2-(butanoylamino)-1,3-benzothiazol-6-yl]-4-cyano-2-fluoranyl-benzamide

Systemtic Name: N-[2-(butanoylamino)-1,3-benzothiazol-6-yl]-4-cyano-2-fluoranyl-benzamide Openeye Name: N-[2-(butanoylamino)-1,3-benzothiazol-6-yl]-4-cyano-2-fluoro-benzamide CAS Name: 4-cyano-2-fluoro-N-[2-(1-oxobutylamino)-1,3-benzothiazol-6-yl]benzamide IUPAC Name: N-[2-(butanoylamino)-1,3-benzothiazol-6-yl]-4-cyano-2-fluorobenzamide Traditional Name: N-(2-butyramido-1,3-benzothiazol-6-yl)-4-cyano-2-fluoro-benzamide Formula: C19H15FN4O2S MolecularWeight: 382.411403

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=C(C=C(C=C3)C#N)F

Isomeric SMILES

CCCC(=O)NC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=C(C=C(C=C3)C#N)F

InChI

InChI=1S/C19H15FN4O2S/c1-2-3-17(25)24-19-23-15-7-5-12(9-16(15)27-19)22-18(26)13-6-4-11(10-21)8-14(13)20/h4-9H,2-3H2,1H3,(H,22,26)(H,23,24,25)