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

Systemtic Name: (E)-N-[(3-ethoxypropanoylamino)carbamothioyl]-3-(4-nitrophenyl)prop-2-enamide Openeye Name: (E)-N-[(3-ethoxypropanoylamino)carbamothioyl]-3-(4-nitrophenyl)prop-2-enamide CAS Name: (E)-N-[[(3-ethoxy-1-oxopropyl)hydrazo]-sulfanylidenemethyl]-3-(4-nitrophenyl)-2-propenamide IUPAC Name: (E)-N-[(3-ethoxypropanoylamino)carbamothioyl]-3-(4-nitrophenyl)prop-2-enamide Traditional Name: (E)-N-[(3-ethoxypropanoylamino)thiocarbamoyl]-3-(4-nitrophenyl)acrylamide Formula: C15H18N4O5S MolecularWeight: 366.39222

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCC(=O)NNC(=S)NC(=O)C=CC1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C15H18N4O5S/c1-2-24-10-9-14(21)17-18-15(25)16-13(20)8-5-11-3-6-12(7-4-11)19(22)23/h3-8H,2,9-10H2,1H3,(H,17,21)(H2,16,18,20,25)/b8-5+