N-[(3-benzamidophenyl)carbamothioyl]-2-fluoranyl-benzamide

Systemtic Name: N-[(3-benzamidophenyl)carbamothioyl]-2-fluoranyl-benzamide Openeye Name: N-[(3-benzamidophenyl)carbamothioyl]-2-fluoro-benzamide CAS Name: N-[(3-benzamidoanilino)-sulfanylidenemethyl]-2-fluorobenzamide IUPAC Name: N-[(3-benzamidophenyl)carbamothioyl]-2-fluorobenzamide Traditional Name: N-[(3-benzamidophenyl)thiocarbamoyl]-2-fluoro-benzamide Formula: C21H16FN3O2S MolecularWeight: 393.434043

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NC2=CC(=CC=C2)NC(=S)NC(=O)C3=CC=CC=C3F

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NC2=CC(=CC=C2)NC(=S)NC(=O)C3=CC=CC=C3F

InChI

InChI=1S/C21H16FN3O2S/c22-18-12-5-4-11-17(18)20(27)25-21(28)24-16-10-6-9-15(13-16)23-19(26)14-7-2-1-3-8-14/h1-13H,(H,23,26)(H2,24,25,27,28)