N-[4-[(3-aminocarbonylphenyl)carbamothioylamino]phenyl]-2-fluoranyl-benzamide

Systemtic Name: N-[4-[(3-aminocarbonylphenyl)carbamothioylamino]phenyl]-2-fluoranyl-benzamide Openeye Name: N-[4-[(3-carbamoylphenyl)carbamothioylamino]phenyl]-2-fluoro-benzamide CAS Name: N-[4-[[(3-carbamoylanilino)-sulfanylidenemethyl]amino]phenyl]-2-fluorobenzamide IUPAC Name: N-[4-[(3-carbamoylphenyl)carbamothioylamino]phenyl]-2-fluorobenzamide Traditional Name: N-[4-[(3-carbamoylphenyl)thiocarbamoylamino]phenyl]-2-fluoro-benzamide Formula: C21H17FN4O2S MolecularWeight: 408.448683

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)NC(=S)NC3=CC=CC(=C3)C(=O)N)F

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)NC(=S)NC3=CC=CC(=C3)C(=O)N)F

InChI

InChI=1S/C21H17FN4O2S/c22-18-7-2-1-6-17(18)20(28)24-14-8-10-15(11-9-14)25-21(29)26-16-5-3-4-13(12-16)19(23)27/h1-12H,(H2,23,27)(H,24,28)(H2,25,26,29)