N-[(2-methoxy-4-nitro-phenyl)carbamothioyl]furan-2-carboxamide

Systemtic Name: N-[(2-methoxy-4-nitro-phenyl)carbamothioyl]furan-2-carboxamide Openeye Name: N-[(2-methoxy-4-nitro-phenyl)carbamothioyl]furan-2-carboxamide CAS Name: N-[(2-methoxy-4-nitroanilino)-sulfanylidenemethyl]-2-furancarboxamide IUPAC Name: N-[(2-methoxy-4-nitrophenyl)carbamothioyl]furan-2-carboxamide Traditional Name: N-[(2-methoxy-4-nitro-phenyl)thiocarbamoyl]-2-furamide Formula: C13H11N3O5S MolecularWeight: 321.30854

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=S)NC(=O)C2=CC=CO2

Isomeric SMILES

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=S)NC(=O)C2=CC=CO2

InChI

InChI=1S/C13H11N3O5S/c1-20-11-7-8(16(18)19)4-5-9(11)14-13(22)15-12(17)10-3-2-6-21-10/h2-7H,1H3,(H2,14,15,17,22)