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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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