3-[(3-oxidanylidenepiperazin-1-ium-1-yl)methyl]benzenecarbothioamide

Systemtic Name: 3-[(3-oxidanylidenepiperazin-1-ium-1-yl)methyl]benzenecarbothioamide Openeye Name: 3-[(3-oxopiperazin-1-ium-1-yl)methyl]benzenecarbothioamide CAS Name: 3-[(3-oxo-1-piperazin-1-iumyl)methyl]benzenecarbothioamide IUPAC Name: 3-[(3-oxopiperazin-1-ium-1-yl)methyl]benzenecarbothioamide Traditional Name: 3-[(3-ketopiperazin-1-ium-1-yl)methyl]thiobenzamide Formula: C12H16N3OS+ MolecularWeight: 250.33994

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC(=O)N1)CC2=CC=CC(=C2)C(=S)N

Isomeric SMILES

C1C[NH+](CC(=O)N1)CC2=CC=CC(=C2)C(=S)N

InChI

InChI=1S/C12H15N3OS/c13-12(17)10-3-1-2-9(6-10)7-15-5-4-14-11(16)8-15/h1-3,6H,4-5,7-8H2,(H2,13,17)(H,14,16)/p+1