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

Systemtic Name: 5-(3-nitrophenyl)-N-[[4-(propanoylcarbamothioylamino)phenyl]carbamothioyl]furan-2-carboxamide Openeye Name: 5-(3-nitrophenyl)-N-[[4-(propanoylcarbamothioylamino)phenyl]carbamothioyl]furan-2-carboxamide CAS Name: 5-(3-nitrophenyl)-N-[[4-[[(1-oxopropylamino)-sulfanylidenemethyl]amino]anilino]-sulfanylidenemethyl]-2-furancarboxamide IUPAC Name: 5-(3-nitrophenyl)-N-[[4-(propanoylcarbamothioylamino)phenyl]carbamothioyl]furan-2-carboxamide Traditional Name: 5-(3-nitrophenyl)-N-[[4-(propionylthiocarbamoylamino)phenyl]thiocarbamoyl]-2-furamide Formula: C22H19N5O5S2 MolecularWeight: 497.54676

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H19N5O5S2/c1-2-19(28)25-21(33)23-14-6-8-15(9-7-14)24-22(34)26-20(29)18-11-10-17(32-18)13-4-3-5-16(12-13)27(30)31/h3-12H,2H2,1H3,(H2,23,25,28,33)(H2,24,26,29,34)