(E)-3-(2-methoxyphenyl)-N-[[2-(4-nitrophenoxy)ethanoylamino]carbamothioyl]prop-2-enamide

Systemtic Name: (E)-3-(2-methoxyphenyl)-N-[[2-(4-nitrophenoxy)ethanoylamino]carbamothioyl]prop-2-enamide Openeye Name: (E)-3-(2-methoxyphenyl)-N-[[[2-(4-nitrophenoxy)acetyl]amino]carbamothioyl]prop-2-enamide CAS Name: (E)-3-(2-methoxyphenyl)-N-[[[2-(4-nitrophenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-2-propenamide IUPAC Name: (E)-3-(2-methoxyphenyl)-N-[[[2-(4-nitrophenoxy)acetyl]amino]carbamothioyl]prop-2-enamide Traditional Name: (E)-3-(2-methoxyphenyl)-N-[[[2-(4-nitrophenoxy)acetyl]amino]thiocarbamoyl]acrylamide Formula: C19H18N4O6S MolecularWeight: 430.43442

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C=CC(=O)NC(=S)NNC(=O)COC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC=C1/C=C/C(=O)NC(=S)NNC(=O)COC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C19H18N4O6S/c1-28-16-5-3-2-4-13(16)6-11-17(24)20-19(30)22-21-18(25)12-29-15-9-7-14(8-10-15)23(26)27/h2-11H,12H2,1H3,(H,21,25)(H2,20,22,24,30)/b11-6+