(E)-N-[[2-(5-methyl-2-propan-2-yl-phenoxy)ethanoylamino]carbamothioyl]-3-(4-nitrophenyl)prop-2-enamide

Systemtic Name: (E)-N-[[2-(5-methyl-2-propan-2-yl-phenoxy)ethanoylamino]carbamothioyl]-3-(4-nitrophenyl)prop-2-enamide Openeye Name: (E)-N-[[[2-(2-isopropyl-5-methyl-phenoxy)acetyl]amino]carbamothioyl]-3-(4-nitrophenyl)prop-2-enamide CAS Name: (E)-N-[[[2-(5-methyl-2-propan-2-ylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-3-(4-nitrophenyl)-2-propenamide IUPAC Name: (E)-N-[[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]carbamothioyl]-3-(4-nitrophenyl)prop-2-enamide Traditional Name: (E)-N-[[[2-(2-isopropyl-5-methyl-phenoxy)acetyl]amino]thiocarbamoyl]-3-(4-nitrophenyl)acrylamide Formula: C22H24N4O5S MolecularWeight: 456.51476

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C)C)OCC(=O)NNC(=S)NC(=O)C=CC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)C(C)C)OCC(=O)NNC(=S)NC(=O)/C=C/C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C22H24N4O5S/c1-14(2)18-10-4-15(3)12-19(18)31-13-21(28)24-25-22(32)23-20(27)11-7-16-5-8-17(9-6-16)26(29)30/h4-12,14H,13H2,1-3H3,(H,24,28)(H2,23,25,27,32)/b11-7+