4-[3-(4-nitrophenoxy)propanoyl]piperazine-1-carbothioamide

Systemtic Name: 4-[3-(4-nitrophenoxy)propanoyl]piperazine-1-carbothioamide Openeye Name: 4-[3-(4-nitrophenoxy)propanoyl]piperazine-1-carbothioamide CAS Name: 4-[3-(4-nitrophenoxy)-1-oxopropyl]-1-piperazinecarbothioamide IUPAC Name: 4-[3-(4-nitrophenoxy)propanoyl]piperazine-1-carbothioamide Traditional Name: 4-[3-(4-nitrophenoxy)propanoyl]piperazine-1-carbothioamide Formula: C14H18N4O4S MolecularWeight: 338.38212

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CCOC2=CC=C(C=C2)[N+](=O)[O-])C(=S)N

Isomeric SMILES

C1CN(CCN1C(=O)CCOC2=CC=C(C=C2)[N+](=O)[O-])C(=S)N

InChI

InChI=1S/C14H18N4O4S/c15-14(23)17-8-6-16(7-9-17)13(19)5-10-22-12-3-1-11(2-4-12)18(20)21/h1-4H,5-10H2,(H2,15,23)