N-[3-[(3,5-dinitrophenyl)carbonylcarbamothioylamino]phenyl]furan-2-carboxamide

Systemtic Name: N-[3-[(3,5-dinitrophenyl)carbonylcarbamothioylamino]phenyl]furan-2-carboxamide Openeye Name: N-[3-[(3,5-dinitrobenzoyl)carbamothioylamino]phenyl]furan-2-carboxamide CAS Name: N-[3-[[[[(3,5-dinitrophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]phenyl]-2-furancarboxamide IUPAC Name: N-[3-[(3,5-dinitrobenzoyl)carbamothioylamino]phenyl]furan-2-carboxamide Traditional Name: N-[3-[(3,5-dinitrobenzoyl)thiocarbamoylamino]phenyl]-2-furamide Formula: C19H13N5O7S MolecularWeight: 455.40082

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=S)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])NC(=O)C3=CC=CO3

Isomeric SMILES

C1=CC(=CC(=C1)NC(=S)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])NC(=O)C3=CC=CO3

InChI

InChI=1S/C19H13N5O7S/c25-17(11-7-14(23(27)28)10-15(8-11)24(29)30)22-19(32)21-13-4-1-3-12(9-13)20-18(26)16-5-2-6-31-16/h1-10H,(H,20,26)(H2,21,22,25,32)