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

Systemtic Name: (E)-N-[[2-(2-butan-2-ylphenoxy)ethanoylamino]carbamothioyl]-3-(3-nitrophenyl)prop-2-enamide Openeye Name: (E)-3-(3-nitrophenyl)-N-[[[2-(2-sec-butylphenoxy)acetyl]amino]carbamothioyl]prop-2-enamide CAS Name: (E)-N-[[[2-(2-butan-2-ylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-3-(3-nitrophenyl)-2-propenamide IUPAC Name: (E)-N-[[[2-(2-butan-2-ylphenoxy)acetyl]amino]carbamothioyl]-3-(3-nitrophenyl)prop-2-enamide Traditional Name: (E)-3-(3-nitrophenyl)-N-[[[2-(2-sec-butylphenoxy)acetyl]amino]thiocarbamoyl]acrylamide Formula: C22H24N4O5S MolecularWeight: 456.51476

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N4O5S/c1-3-15(2)18-9-4-5-10-19(18)31-14-21(28)24-25-22(32)23-20(27)12-11-16-7-6-8-17(13-16)26(29)30/h4-13,15H,3,14H2,1-2H3,(H,24,28)(H2,23,25,27,32)/b12-11+