5-(3-nitrophenyl)-N-[(2-phenoxyethanoylamino)carbamothioyl]furan-2-carboxamide

Systemtic Name: 5-(3-nitrophenyl)-N-[(2-phenoxyethanoylamino)carbamothioyl]furan-2-carboxamide Openeye Name: 5-(3-nitrophenyl)-N-[[(2-phenoxyacetyl)amino]carbamothioyl]furan-2-carboxamide CAS Name: 5-(3-nitrophenyl)-N-[[(1-oxo-2-phenoxyethyl)hydrazo]-sulfanylidenemethyl]-2-furancarboxamide IUPAC Name: 5-(3-nitrophenyl)-N-[[(2-phenoxyacetyl)amino]carbamothioyl]furan-2-carboxamide Traditional Name: 5-(3-nitrophenyl)-N-[[(2-phenoxyacetyl)amino]thiocarbamoyl]-2-furamide Formula: C20H16N4O6S MolecularWeight: 440.42924

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCC(=O)NNC(=S)NC(=O)C2=CC=C(O2)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)OCC(=O)NNC(=S)NC(=O)C2=CC=C(O2)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H16N4O6S/c25-18(12-29-15-7-2-1-3-8-15)22-23-20(31)21-19(26)17-10-9-16(30-17)13-5-4-6-14(11-13)24(27)28/h1-11H,12H2,(H,22,25)(H2,21,23,26,31)