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

Systemtic Name: 5-bromanyl-N-[[2-(4-nitrophenoxy)ethanoylamino]carbamothioyl]-2-propoxy-benzamide Openeye Name: 5-bromo-N-[[[2-(4-nitrophenoxy)acetyl]amino]carbamothioyl]-2-propoxy-benzamide CAS Name: 5-bromo-N-[[[2-(4-nitrophenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-2-propoxybenzamide IUPAC Name: 5-bromo-N-[[[2-(4-nitrophenoxy)acetyl]amino]carbamothioyl]-2-propoxybenzamide Traditional Name: 5-bromo-N-[[[2-(4-nitrophenoxy)acetyl]amino]thiocarbamoyl]-2-propoxy-benzamide Formula: C19H19BrN4O6S MolecularWeight: 511.34636

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NNC(=O)COC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NNC(=O)COC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C19H19BrN4O6S/c1-2-9-29-16-8-3-12(20)10-15(16)18(26)21-19(31)23-22-17(25)11-30-14-6-4-13(5-7-14)24(27)28/h3-8,10H,2,9,11H2,1H3,(H,22,25)(H2,21,23,26,31)