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

Systemtic Name: (E)-N-[[2-(2-bromanyl-4-propan-2-yl-phenoxy)ethanoylamino]carbamothioyl]-3-(3-nitrophenyl)prop-2-enamide Openeye Name: (E)-N-[[[2-(2-bromo-4-isopropyl-phenoxy)acetyl]amino]carbamothioyl]-3-(3-nitrophenyl)prop-2-enamide CAS Name: (E)-N-[[[2-(2-bromo-4-propan-2-ylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-3-(3-nitrophenyl)-2-propenamide IUPAC Name: (E)-N-[[[2-(2-bromo-4-propan-2-ylphenoxy)acetyl]amino]carbamothioyl]-3-(3-nitrophenyl)prop-2-enamide Traditional Name: (E)-N-[[[2-(2-bromo-4-isopropyl-phenoxy)acetyl]amino]thiocarbamoyl]-3-(3-nitrophenyl)acrylamide Formula: C21H21BrN4O5S MolecularWeight: 521.38424

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21BrN4O5S/c1-13(2)15-7-8-18(17(22)11-15)31-12-20(28)24-25-21(32)23-19(27)9-6-14-4-3-5-16(10-14)26(29)30/h3-11,13H,12H2,1-2H3,(H,24,28)(H2,23,25,27,32)/b9-6+