(E)-N-[(2-bromanyl-4-nitro-phenyl)carbamothioyl]-3-(4-nitrophenyl)prop-2-enamide

Systemtic Name: (E)-N-[(2-bromanyl-4-nitro-phenyl)carbamothioyl]-3-(4-nitrophenyl)prop-2-enamide Openeye Name: (E)-N-[(2-bromo-4-nitro-phenyl)carbamothioyl]-3-(4-nitrophenyl)prop-2-enamide CAS Name: (E)-N-[(2-bromo-4-nitroanilino)-sulfanylidenemethyl]-3-(4-nitrophenyl)-2-propenamide IUPAC Name: (E)-N-[(2-bromo-4-nitrophenyl)carbamothioyl]-3-(4-nitrophenyl)prop-2-enamide Traditional Name: (E)-N-[(2-bromo-4-nitro-phenyl)thiocarbamoyl]-3-(4-nitrophenyl)acrylamide Formula: C16H11BrN4O5S MolecularWeight: 451.25134

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=CC(=O)NC(=S)NC2=C(C=C(C=C2)[N+](=O)[O-])Br)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1/C=C/C(=O)NC(=S)NC2=C(C=C(C=C2)[N+](=O)[O-])Br)[N+](=O)[O-]

InChI

InChI=1S/C16H11BrN4O5S/c17-13-9-12(21(25)26)6-7-14(13)18-16(27)19-15(22)8-3-10-1-4-11(5-2-10)20(23)24/h1-9H,(H2,18,19,22,27)/b8-3+