N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-2-(phenylmethylsulfanyl)ethanamide

Systemtic Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-2-(phenylmethylsulfanyl)ethanamide Openeye Name: 2-benzylsulfanyl-N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]acetamide CAS Name: N-[4-(4-ethyl-1-piperazin-4-iumyl)phenyl]-2-(phenylmethylthio)acetamide IUPAC Name: 2-benzylsulfanyl-N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]acetamide Traditional Name: 2-(benzylthio)-N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]acetamide Formula: C21H28N3OS+ MolecularWeight: 370.53152

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=O)CSCC3=CC=CC=C3

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=O)CSCC3=CC=CC=C3

InChI

InChI=1S/C21H27N3OS/c1-2-23-12-14-24(15-13-23)20-10-8-19(9-11-20)22-21(25)17-26-16-18-6-4-3-5-7-18/h3-11H,2,12-17H2,1H3,(H,22,25)/p+1