N-[(3-chloranyl-4-fluoranyl-phenyl)carbamothioyl]-5-(3-nitrophenyl)furan-2-carboxamide

Systemtic Name: N-[(3-chloranyl-4-fluoranyl-phenyl)carbamothioyl]-5-(3-nitrophenyl)furan-2-carboxamide Openeye Name: N-[(3-chloro-4-fluoro-phenyl)carbamothioyl]-5-(3-nitrophenyl)furan-2-carboxamide CAS Name: N-[(3-chloro-4-fluoroanilino)-sulfanylidenemethyl]-5-(3-nitrophenyl)-2-furancarboxamide IUPAC Name: N-[(3-chloro-4-fluorophenyl)carbamothioyl]-5-(3-nitrophenyl)furan-2-carboxamide Traditional Name: N-[(3-chloro-4-fluoro-phenyl)thiocarbamoyl]-5-(3-nitrophenyl)-2-furamide Formula: C18H11ClFN3O4S MolecularWeight: 419.814043

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C2=CC=C(O2)C(=O)NC(=S)NC3=CC(=C(C=C3)F)Cl

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C2=CC=C(O2)C(=O)NC(=S)NC3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C18H11ClFN3O4S/c19-13-9-11(4-5-14(13)20)21-18(28)22-17(24)16-7-6-15(27-16)10-2-1-3-12(8-10)23(25)26/h1-9H,(H2,21,22,24,28)