N-[[2-(4-nitrophenoxy)ethanoylamino]carbamothioyl]cyclopropanecarboxamide

Systemtic Name: N-[[2-(4-nitrophenoxy)ethanoylamino]carbamothioyl]cyclopropanecarboxamide Openeye Name: N-[[[2-(4-nitrophenoxy)acetyl]amino]carbamothioyl]cyclopropanecarboxamide CAS Name: N-[[[2-(4-nitrophenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]cyclopropanecarboxamide IUPAC Name: N-[[[2-(4-nitrophenoxy)acetyl]amino]carbamothioyl]cyclopropanecarboxamide Traditional Name: N-[[[2-(4-nitrophenoxy)acetyl]amino]thiocarbamoyl]cyclopropanecarboxamide Formula: C13H14N4O5S MolecularWeight: 338.33906

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=O)NC(=S)NNC(=O)COC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C1CC1C(=O)NC(=S)NNC(=O)COC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H14N4O5S/c18-11(15-16-13(23)14-12(19)8-1-2-8)7-22-10-5-3-9(4-6-10)17(20)21/h3-6,8H,1-2,7H2,(H,15,18)(H2,14,16,19,23)