(E)-N-[(2-naphthalen-1-yloxyethanoylamino)carbamothioyl]-3-(4-nitrophenyl)prop-2-enamide

Systemtic Name: (E)-N-[(2-naphthalen-1-yloxyethanoylamino)carbamothioyl]-3-(4-nitrophenyl)prop-2-enamide Openeye Name: (E)-N-[[[2-(1-naphthyloxy)acetyl]amino]carbamothioyl]-3-(4-nitrophenyl)prop-2-enamide CAS Name: (E)-N-[[[2-(1-naphthalenyloxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-3-(4-nitrophenyl)-2-propenamide IUPAC Name: (E)-N-[[(2-naphthalen-1-yloxyacetyl)amino]carbamothioyl]-3-(4-nitrophenyl)prop-2-enamide Traditional Name: (E)-N-[[[2-(1-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(=C1)C=CC=C2OCC(=O)NNC(=S)NC(=O)C=CC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2OCC(=O)NNC(=S)NC(=O)/C=C/C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H18N4O5S/c27-20(13-10-15-8-11-17(12-9-15)26(29)30)23-22(32)25-24-21(28)14-31-19-7-3-5-16-4-1-2-6-18(16)19/h1-13H,14H2,(H,24,28)(H2,23,25,27,32)/b13-10+