2-(4-bromanyl-2-methyl-phenoxy)-N-[[2-(4-nitrophenoxy)ethanoylamino]carbamothioyl]ethanamide

Systemtic Name: 2-(4-bromanyl-2-methyl-phenoxy)-N-[[2-(4-nitrophenoxy)ethanoylamino]carbamothioyl]ethanamide Openeye Name: 2-(4-bromo-2-methyl-phenoxy)-N-[[[2-(4-nitrophenoxy)acetyl]amino]carbamothioyl]acetamide CAS Name: 2-(4-bromo-2-methylphenoxy)-N-[[[2-(4-nitrophenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]acetamide IUPAC Name: 2-(4-bromo-2-methylphenoxy)-N-[[[2-(4-nitrophenoxy)acetyl]amino]carbamothioyl]acetamide Traditional Name: 2-(4-bromo-2-methyl-phenoxy)-N-[[[2-(4-nitrophenoxy)acetyl]amino]thiocarbamoyl]acetamide Formula: C18H17BrN4O6S MolecularWeight: 497.31978

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)OCC(=O)NC(=S)NNC(=O)COC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)Br)OCC(=O)NC(=S)NNC(=O)COC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H17BrN4O6S/c1-11-8-12(19)2-7-15(11)29-9-16(24)20-18(30)22-21-17(25)10-28-14-5-3-13(4-6-14)23(26)27/h2-8H,9-10H2,1H3,(H,21,25)(H2,20,22,24,30)