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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NNC(=S)NC(=O)C=CC2=CC(=CC=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C17H13N5O6S/c23-15(9-8-11-4-3-5-12(10-11)21(25)26)18-17(29)20-19-16(24)13-6-1-2-7-14(13)22(27)28/h1-10H,(H,19,24)(H2,18,20,23,29)/b9-8+