(E)-3-(4-methoxyphenyl)-N-[[(2-nitrophenyl)carbonylamino]carbamothioyl]prop-2-enamide

Systemtic Name: (E)-3-(4-methoxyphenyl)-N-[[(2-nitrophenyl)carbonylamino]carbamothioyl]prop-2-enamide Openeye Name: (E)-3-(4-methoxyphenyl)-N-[[(2-nitrobenzoyl)amino]carbamothioyl]prop-2-enamide CAS Name: (E)-3-(4-methoxyphenyl)-N-[[[(2-nitrophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-2-propenamide IUPAC Name: (E)-3-(4-methoxyphenyl)-N-[[(2-nitrobenzoyl)amino]carbamothioyl]prop-2-enamide Traditional Name: (E)-3-(4-methoxyphenyl)-N-[[(2-nitrobenzoyl)amino]thiocarbamoyl]acrylamide Formula: C18H16N4O5S MolecularWeight: 400.40844

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C=CC(=O)NC(=S)NNC(=O)C2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)/C=C/C(=O)NC(=S)NNC(=O)C2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C18H16N4O5S/c1-27-13-9-6-12(7-10-13)8-11-16(23)19-18(28)21-20-17(24)14-4-2-3-5-15(14)22(25)26/h2-11H,1H3,(H,20,24)(H2,19,21,23,28)/b11-8+