(E)-3-(3-nitrophenyl)-N-[(3-phenylpropanoylamino)carbamothioyl]prop-2-enamide

Systemtic Name: (E)-3-(3-nitrophenyl)-N-[(3-phenylpropanoylamino)carbamothioyl]prop-2-enamide Openeye Name: (E)-3-(3-nitrophenyl)-N-[(3-phenylpropanoylamino)carbamothioyl]prop-2-enamide CAS Name: (E)-3-(3-nitrophenyl)-N-[[(1-oxo-3-phenylpropyl)hydrazo]-sulfanylidenemethyl]-2-propenamide IUPAC Name: (E)-3-(3-nitrophenyl)-N-[(3-phenylpropanoylamino)carbamothioyl]prop-2-enamide Traditional Name: (E)-N-[(hydrocinnamoylamino)thiocarbamoyl]-3-(3-nitrophenyl)acrylamide Formula: C19H18N4O4S MolecularWeight: 398.43562

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(=O)NNC(=S)NC(=O)C=CC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C19H18N4O4S/c24-17(11-10-15-7-4-8-16(13-15)23(26)27)20-19(28)22-21-18(25)12-9-14-5-2-1-3-6-14/h1-8,10-11,13H,9,12H2,(H,21,25)(H2,20,22,24,28)/b11-10+