(E)-3-(3-nitrophenyl)-N-[[2-(2-propan-2-ylphenoxy)ethanoylamino]carbamothioyl]prop-2-enamide

Systemtic Name: (E)-3-(3-nitrophenyl)-N-[[2-(2-propan-2-ylphenoxy)ethanoylamino]carbamothioyl]prop-2-enamide Openeye Name: (E)-N-[[[2-(2-isopropylphenoxy)acetyl]amino]carbamothioyl]-3-(3-nitrophenyl)prop-2-enamide CAS Name: (E)-3-(3-nitrophenyl)-N-[[[1-oxo-2-(2-propan-2-ylphenoxy)ethyl]hydrazo]-sulfanylidenemethyl]-2-propenamide IUPAC Name: (E)-3-(3-nitrophenyl)-N-[[[2-(2-propan-2-ylphenoxy)acetyl]amino]carbamothioyl]prop-2-enamide Traditional Name: (E)-N-[[[2-(2-isopropylphenoxy)acetyl]amino]thiocarbamoyl]-3-(3-nitrophenyl)acrylamide Formula: C21H22N4O5S MolecularWeight: 442.48818

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1OCC(=O)NNC(=S)NC(=O)C=CC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=CC=CC=C1OCC(=O)NNC(=S)NC(=O)/C=C/C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C21H22N4O5S/c1-14(2)17-8-3-4-9-18(17)30-13-20(27)23-24-21(31)22-19(26)11-10-15-6-5-7-16(12-15)25(28)29/h3-12,14H,13H2,1-2H3,(H,23,27)(H2,22,24,26,31)/b11-10+