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

Systemtic Name: (E)-N-[[2-(4-ethylphenoxy)ethanoylamino]carbamothioyl]-3-(3-nitrophenyl)prop-2-enamide Openeye Name: (E)-N-[[[2-(4-ethylphenoxy)acetyl]amino]carbamothioyl]-3-(3-nitrophenyl)prop-2-enamide CAS Name: (E)-N-[[[2-(4-ethylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-3-(3-nitrophenyl)-2-propenamide IUPAC Name: (E)-N-[[[2-(4-ethylphenoxy)acetyl]amino]carbamothioyl]-3-(3-nitrophenyl)prop-2-enamide Traditional Name: (E)-N-[[[2-(4-ethylphenoxy)acetyl]amino]thiocarbamoyl]-3-(3-nitrophenyl)acrylamide Formula: C20H20N4O5S MolecularWeight: 428.4616

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OCC(=O)NNC(=S)NC(=O)C=CC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC=C(C=C1)OCC(=O)NNC(=S)NC(=O)/C=C/C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C20H20N4O5S/c1-2-14-6-9-17(10-7-14)29-13-19(26)22-23-20(30)21-18(25)11-8-15-4-3-5-16(12-15)24(27)28/h3-12H,2,13H2,1H3,(H,22,26)(H2,21,23,25,30)/b11-8+