3-[(4-ethanoylpiperazin-1-yl)methyl]benzenecarbothioamide

Systemtic Name: 3-[(4-ethanoylpiperazin-1-yl)methyl]benzenecarbothioamide Openeye Name: 3-[(4-acetylpiperazin-1-yl)methyl]benzenecarbothioamide CAS Name: 3-[(4-acetyl-1-piperazinyl)methyl]benzenecarbothioamide IUPAC Name: 3-[(4-acetylpiperazin-1-yl)methyl]benzenecarbothioamide Traditional Name: 3-[(4-acetylpiperazino)methyl]thiobenzamide Formula: C14H19N3OS MolecularWeight: 277.38516

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)CC2=CC=CC(=C2)C(=S)N

Isomeric SMILES

CC(=O)N1CCN(CC1)CC2=CC=CC(=C2)C(=S)N

InChI

InChI=1S/C14H19N3OS/c1-11(18)17-7-5-16(6-8-17)10-12-3-2-4-13(9-12)14(15)19/h2-4,9H,5-8,10H2,1H3,(H2,15,19)