N-[(3-chloranyl-4-fluoranyl-phenyl)carbamothioyl]-3-nitro-benzamide

Systemtic Name: N-[(3-chloranyl-4-fluoranyl-phenyl)carbamothioyl]-3-nitro-benzamide Openeye Name: N-[(3-chloro-4-fluoro-phenyl)carbamothioyl]-3-nitro-benzamide CAS Name: N-[(3-chloro-4-fluoroanilino)-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: N-[(3-chloro-4-fluorophenyl)carbamothioyl]-3-nitrobenzamide Traditional Name: N-[(3-chloro-4-fluoro-phenyl)thiocarbamoyl]-3-nitro-benzamide Formula: C14H9ClFN3O3S MolecularWeight: 353.755963

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NC(=S)NC2=CC(=C(C=C2)F)Cl

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NC(=S)NC2=CC(=C(C=C2)F)Cl

InChI

InChI=1S/C14H9ClFN3O3S/c15-11-7-9(4-5-12(11)16)17-14(23)18-13(20)8-2-1-3-10(6-8)19(21)22/h1-7H,(H2,17,18,20,23)