N-[[4-(ethanoylcarbamothioylamino)phenyl]carbamothioyl]-2-fluoranyl-benzamide

Systemtic Name: N-[[4-(ethanoylcarbamothioylamino)phenyl]carbamothioyl]-2-fluoranyl-benzamide Openeye Name: N-[[4-(acetylcarbamothioylamino)phenyl]carbamothioyl]-2-fluoro-benzamide CAS Name: N-[[4-[[acetamido(sulfanylidene)methyl]amino]anilino]-sulfanylidenemethyl]-2-fluorobenzamide IUPAC Name: N-[[4-(acetylcarbamothioylamino)phenyl]carbamothioyl]-2-fluorobenzamide Traditional Name: N-[[4-(acetylthiocarbamoylamino)phenyl]thiocarbamoyl]-2-fluoro-benzamide Formula: C17H15FN4O2S2 MolecularWeight: 390.455003

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(=S)NC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC=CC=C2F

Isomeric SMILES

CC(=O)NC(=S)NC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC=CC=C2F

InChI

InChI=1S/C17H15FN4O2S2/c1-10(23)19-16(25)20-11-6-8-12(9-7-11)21-17(26)22-15(24)13-4-2-3-5-14(13)18/h2-9H,1H3,(H2,19,20,23,25)(H2,21,22,24,26)