(E)-N-[(2-naphthalen-2-yloxyethanoylamino)carbamothioyl]-3-(4-nitrophenyl)prop-2-enamide

Systemtic Name: (E)-N-[(2-naphthalen-2-yloxyethanoylamino)carbamothioyl]-3-(4-nitrophenyl)prop-2-enamide Openeye Name: (E)-N-[[[2-(2-naphthyloxy)acetyl]amino]carbamothioyl]-3-(4-nitrophenyl)prop-2-enamide CAS Name: (E)-N-[[[2-(2-naphthalenyloxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-3-(4-nitrophenyl)-2-propenamide IUPAC Name: (E)-N-[[(2-naphthalen-2-yloxyacetyl)amino]carbamothioyl]-3-(4-nitrophenyl)prop-2-enamide Traditional Name: (E)-N-[[[2-(2-naphthoxy)acetyl]amino]thiocarbamoyl]-3-(4-nitrophenyl)acrylamide Formula: C22H18N4O5S MolecularWeight: 450.46712

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)OCC(=O)NNC(=S)NC(=O)C=CC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)OCC(=O)NNC(=S)NC(=O)/C=C/C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H18N4O5S/c27-20(12-7-15-5-9-18(10-6-15)26(29)30)23-22(32)25-24-21(28)14-31-19-11-8-16-3-1-2-4-17(16)13-19/h1-13H,14H2,(H,24,28)(H2,23,25,27,32)/b12-7+