N-[[2-(2-bromanyl-4-methyl-phenoxy)ethanoylamino]carbamothioyl]-3,5-dinitro-benzamide

Systemtic Name: N-[[2-(2-bromanyl-4-methyl-phenoxy)ethanoylamino]carbamothioyl]-3,5-dinitro-benzamide Openeye Name: N-[[[2-(2-bromo-4-methyl-phenoxy)acetyl]amino]carbamothioyl]-3,5-dinitro-benzamide CAS Name: N-[[[2-(2-bromo-4-methylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-3,5-dinitrobenzamide IUPAC Name: N-[[[2-(2-bromo-4-methylphenoxy)acetyl]amino]carbamothioyl]-3,5-dinitrobenzamide Traditional Name: N-[[[2-(2-bromo-4-methyl-phenoxy)acetyl]amino]thiocarbamoyl]-3,5-dinitro-benzamide Formula: C17H14BrN5O7S MolecularWeight: 512.29136

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14BrN5O7S/c1-9-2-3-14(13(18)4-9)30-8-15(24)20-21-17(31)19-16(25)10-5-11(22(26)27)7-12(6-10)23(28)29/h2-7H,8H2,1H3,(H,20,24)(H2,19,21,25,31)