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

Systemtic Name: N-[[2-(butanoylamino)-1,3-benzothiazol-6-yl]carbamothioyl]-2-fluoranyl-benzamide Openeye Name: N-[[2-(butanoylamino)-1,3-benzothiazol-6-yl]carbamothioyl]-2-fluoro-benzamide CAS Name: 2-fluoro-N-[[[2-(1-oxobutylamino)-1,3-benzothiazol-6-yl]amino]-sulfanylidenemethyl]benzamide IUPAC Name: N-[[2-(butanoylamino)-1,3-benzothiazol-6-yl]carbamothioyl]-2-fluorobenzamide Traditional Name: N-[(2-butyramido-1,3-benzothiazol-6-yl)thiocarbamoyl]-2-fluoro-benzamide Formula: C19H17FN4O2S2 MolecularWeight: 416.492283

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=NC2=C(S1)C=C(C=C2)NC(=S)NC(=O)C3=CC=CC=C3F

Isomeric SMILES

CCCC(=O)NC1=NC2=C(S1)C=C(C=C2)NC(=S)NC(=O)C3=CC=CC=C3F

InChI

InChI=1S/C19H17FN4O2S2/c1-2-5-16(25)23-19-22-14-9-8-11(10-15(14)28-19)21-18(27)24-17(26)12-6-3-4-7-13(12)20/h3-4,6-10H,2,5H2,1H3,(H,22,23,25)(H2,21,24,26,27)