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

Systemtic Name: N-[[4-(butanoylamino)phenyl]carbamothioyl]-5-(3-nitrophenyl)furan-2-carboxamide Openeye Name: N-[[4-(butanoylamino)phenyl]carbamothioyl]-5-(3-nitrophenyl)furan-2-carboxamide CAS Name: 5-(3-nitrophenyl)-N-[[4-(1-oxobutylamino)anilino]-sulfanylidenemethyl]-2-furancarboxamide IUPAC Name: N-[[4-(butanoylamino)phenyl]carbamothioyl]-5-(3-nitrophenyl)furan-2-carboxamide Traditional Name: N-[(4-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=C(C=C1)NC(=S)NC(=O)C2=CC=C(O2)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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