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

Systemtic Name: (E)-3-(4-ethoxyphenyl)-N-[[2-(4-nitrophenoxy)ethanoylamino]carbamothioyl]prop-2-enamide Openeye Name: (E)-3-(4-ethoxyphenyl)-N-[[[2-(4-nitrophenoxy)acetyl]amino]carbamothioyl]prop-2-enamide CAS Name: (E)-3-(4-ethoxyphenyl)-N-[[[2-(4-nitrophenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-2-propenamide IUPAC Name: (E)-3-(4-ethoxyphenyl)-N-[[[2-(4-nitrophenoxy)acetyl]amino]carbamothioyl]prop-2-enamide Traditional Name: (E)-N-[[[2-(4-nitrophenoxy)acetyl]amino]thiocarbamoyl]-3-p-phenetyl-acrylamide Formula: C20H20N4O6S MolecularWeight: 444.461

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C=CC(=O)NC(=S)NNC(=O)COC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)/C=C/C(=O)NC(=S)NNC(=O)COC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C20H20N4O6S/c1-2-29-16-8-3-14(4-9-16)5-12-18(25)21-20(31)23-22-19(26)13-30-17-10-6-15(7-11-17)24(27)28/h3-12H,2,13H2,1H3,(H,22,26)(H2,21,23,25,31)/b12-5+