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

Systemtic Name: N-[[3-(butanoylamino)phenyl]carbamothioyl]-5-(3-nitrophenyl)furan-2-carboxamide Openeye Name: N-[[3-(butanoylamino)phenyl]carbamothioyl]-5-(3-nitrophenyl)furan-2-carboxamide CAS Name: 5-(3-nitrophenyl)-N-[[3-(1-oxobutylamino)anilino]-sulfanylidenemethyl]-2-furancarboxamide IUPAC Name: N-[[3-(butanoylamino)phenyl]carbamothioyl]-5-(3-nitrophenyl)furan-2-carboxamide Traditional Name: N-[(3-butyramidophenyl)thiocarbamoyl]-5-(3-nitrophenyl)-2-furamide Formula: C22H20N4O5S MolecularWeight: 452.483

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC(=CC=C1)NC(=S)NC(=O)C2=CC=C(O2)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCCC(=O)NC1=CC(=CC=C1)NC(=S)NC(=O)C2=CC=C(O2)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H20N4O5S/c1-2-5-20(27)23-15-7-4-8-16(13-15)24-22(32)25-21(28)19-11-10-18(31-19)14-6-3-9-17(12-14)26(29)30/h3-4,6-13H,2,5H2,1H3,(H,23,27)(H2,24,25,28,32)