4-[2-(4-nitrophenoxy)ethanoyl]piperazine-1-carbothioamide

Systemtic Name: 4-[2-(4-nitrophenoxy)ethanoyl]piperazine-1-carbothioamide Openeye Name: 4-[2-(4-nitrophenoxy)acetyl]piperazine-1-carbothioamide CAS Name: 4-[2-(4-nitrophenoxy)-1-oxoethyl]-1-piperazinecarbothioamide IUPAC Name: 4-[2-(4-nitrophenoxy)acetyl]piperazine-1-carbothioamide Traditional Name: 4-[2-(4-nitrophenoxy)acetyl]piperazine-1-carbothioamide Formula: C13H16N4O4S MolecularWeight: 324.35554

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)COC2=CC=C(C=C2)[N+](=O)[O-])C(=S)N

Isomeric SMILES

C1CN(CCN1C(=O)COC2=CC=C(C=C2)[N+](=O)[O-])C(=S)N

InChI

InChI=1S/C13H16N4O4S/c14-13(22)16-7-5-15(6-8-16)12(18)9-21-11-3-1-10(2-4-11)17(19)20/h1-4H,5-9H2,(H2,14,22)