5-bromanyl-2-(2-methylpropoxy)-N-[[2-(4-nitrophenoxy)ethanoylamino]carbamothioyl]benzamide

Systemtic Name: 5-bromanyl-2-(2-methylpropoxy)-N-[[2-(4-nitrophenoxy)ethanoylamino]carbamothioyl]benzamide Openeye Name: 5-bromo-2-isobutoxy-N-[[[2-(4-nitrophenoxy)acetyl]amino]carbamothioyl]benzamide CAS Name: 5-bromo-2-(2-methylpropoxy)-N-[[[2-(4-nitrophenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 5-bromo-2-(2-methylpropoxy)-N-[[[2-(4-nitrophenoxy)acetyl]amino]carbamothioyl]benzamide Traditional Name: 5-bromo-2-isobutoxy-N-[[[2-(4-nitrophenoxy)acetyl]amino]thiocarbamoyl]benzamide Formula: C20H21BrN4O6S MolecularWeight: 525.37294

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=C(C=C(C=C1)Br)C(=O)NC(=S)NNC(=O)COC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)COC1=C(C=C(C=C1)Br)C(=O)NC(=S)NNC(=O)COC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C20H21BrN4O6S/c1-12(2)10-31-17-8-3-13(21)9-16(17)19(27)22-20(32)24-23-18(26)11-30-15-6-4-14(5-7-15)25(28)29/h3-9,12H,10-11H2,1-2H3,(H,23,26)(H2,22,24,27,32)