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

Systemtic Name: 5-bromanyl-N-[[2-(4-nitrophenoxy)ethanoylamino]carbamothioyl]-2-phenethyloxy-benzamide Openeye Name: 5-bromo-N-[[[2-(4-nitrophenoxy)acetyl]amino]carbamothioyl]-2-phenethyloxy-benzamide CAS Name: 5-bromo-N-[[[2-(4-nitrophenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-2-phenethyloxybenzamide IUPAC Name: 5-bromo-N-[[[2-(4-nitrophenoxy)acetyl]amino]carbamothioyl]-2-phenethyloxybenzamide Traditional Name: 5-bromo-N-[[[2-(4-nitrophenoxy)acetyl]amino]thiocarbamoyl]-2-phenethyloxy-benzamide Formula: C24H21BrN4O6S MolecularWeight: 573.41574

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCOC2=C(C=C(C=C2)Br)C(=O)NC(=S)NNC(=O)COC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CCOC2=C(C=C(C=C2)Br)C(=O)NC(=S)NNC(=O)COC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C24H21BrN4O6S/c25-17-6-11-21(34-13-12-16-4-2-1-3-5-16)20(14-17)23(31)26-24(36)28-27-22(30)15-35-19-9-7-18(8-10-19)29(32)33/h1-11,14H,12-13,15H2,(H,27,30)(H2,26,28,31,36)