(E)-3-(5-methylfuran-2-yl)-N-[[(3-nitrophenyl)carbonylamino]carbamothioyl]prop-2-enamide

Systemtic Name: (E)-3-(5-methylfuran-2-yl)-N-[[(3-nitrophenyl)carbonylamino]carbamothioyl]prop-2-enamide Openeye Name: (E)-3-(5-methyl-2-furyl)-N-[[(3-nitrobenzoyl)amino]carbamothioyl]prop-2-enamide CAS Name: (E)-3-(5-methyl-2-furanyl)-N-[[[(3-nitrophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-2-propenamide IUPAC Name: (E)-3-(5-methylfuran-2-yl)-N-[[(3-nitrobenzoyl)amino]carbamothioyl]prop-2-enamide Traditional Name: (E)-3-(5-methyl-2-furyl)-N-[[(3-nitrobenzoyl)amino]thiocarbamoyl]acrylamide Formula: C16H14N4O5S MolecularWeight: 374.37116

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C=CC(=O)NC(=S)NNC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(O1)/C=C/C(=O)NC(=S)NNC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H14N4O5S/c1-10-5-6-13(25-10)7-8-14(21)17-16(26)19-18-15(22)11-3-2-4-12(9-11)20(23)24/h2-9H,1H3,(H,18,22)(H2,17,19,21,26)/b8-7+