(E)-3-(3-nitrophenyl)-N-[[(3-nitrophenyl)carbonylamino]carbamothioyl]prop-2-enamide

Systemtic Name: (E)-3-(3-nitrophenyl)-N-[[(3-nitrophenyl)carbonylamino]carbamothioyl]prop-2-enamide Openeye Name: (E)-N-[[(3-nitrobenzoyl)amino]carbamothioyl]-3-(3-nitrophenyl)prop-2-enamide CAS Name: (E)-3-(3-nitrophenyl)-N-[[[(3-nitrophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-2-propenamide IUPAC Name: (E)-N-[[(3-nitrobenzoyl)amino]carbamothioyl]-3-(3-nitrophenyl)prop-2-enamide Traditional Name: (E)-N-[[(3-nitrobenzoyl)amino]thiocarbamoyl]-3-(3-nitrophenyl)acrylamide Formula: C17H13N5O6S MolecularWeight: 415.38002

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C=CC(=O)NC(=S)NNC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])/C=C/C(=O)NC(=S)NNC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H13N5O6S/c23-15(8-7-11-3-1-5-13(9-11)21(25)26)18-17(29)20-19-16(24)12-4-2-6-14(10-12)22(27)28/h1-10H,(H,19,24)(H2,18,20,23,29)/b8-7+