N-[[2-(2-bromanyl-4-tert-butyl-phenoxy)ethanoylamino]carbamothioyl]-3-nitro-benzamide

Systemtic Name: N-[[2-(2-bromanyl-4-tert-butyl-phenoxy)ethanoylamino]carbamothioyl]-3-nitro-benzamide Openeye Name: N-[[[2-(2-bromo-4-tert-butyl-phenoxy)acetyl]amino]carbamothioyl]-3-nitro-benzamide CAS Name: N-[[[2-(2-bromo-4-tert-butylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: N-[[[2-(2-bromo-4-tert-butylphenoxy)acetyl]amino]carbamothioyl]-3-nitrobenzamide Traditional Name: N-[[[2-(2-bromo-4-tert-butyl-phenoxy)acetyl]amino]thiocarbamoyl]-3-nitro-benzamide Formula: C20H21BrN4O5S MolecularWeight: 509.37354

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21BrN4O5S/c1-20(2,3)13-7-8-16(15(21)10-13)30-11-17(26)23-24-19(31)22-18(27)12-5-4-6-14(9-12)25(28)29/h4-10H,11H2,1-3H3,(H,23,26)(H2,22,24,27,31)