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

Systemtic Name: N-[[4-(ethanoylcarbamothioylamino)phenyl]carbamothioyl]-5-(3-nitrophenyl)furan-2-carboxamide Openeye Name: N-[[4-(acetylcarbamothioylamino)phenyl]carbamothioyl]-5-(3-nitrophenyl)furan-2-carboxamide CAS Name: N-[[4-[[acetamido(sulfanylidene)methyl]amino]anilino]-sulfanylidenemethyl]-5-(3-nitrophenyl)-2-furancarboxamide IUPAC Name: N-[[4-(acetylcarbamothioylamino)phenyl]carbamothioyl]-5-(3-nitrophenyl)furan-2-carboxamide Traditional Name: N-[[4-(acetylthiocarbamoylamino)phenyl]thiocarbamoyl]-5-(3-nitrophenyl)-2-furamide Formula: C21H17N5O5S2 MolecularWeight: 483.52018

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Descriptors Computed from Structure

Canonical SMILES:

CC(=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

CC(=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/C21H17N5O5S2/c1-12(27)22-20(32)23-14-5-7-15(8-6-14)24-21(33)25-19(28)18-10-9-17(31-18)13-3-2-4-16(11-13)26(29)30/h2-11H,1H3,(H2,22,23,27,32)(H2,24,25,28,33)