1-[3-(methylaminomethyl)-4-(4-methylsulfanylphenoxy)phenyl]piperazin-2-one

Systemtic Name: 1-[3-(methylaminomethyl)-4-(4-methylsulfanylphenoxy)phenyl]piperazin-2-one Openeye Name: 1-[3-(methylaminomethyl)-4-(4-methylsulfanylphenoxy)phenyl]piperazin-2-one CAS Name: 1-[3-(methylaminomethyl)-4-[4-(methylthio)phenoxy]phenyl]-2-piperazinone IUPAC Name: 1-[3-(methylaminomethyl)-4-(4-methylsulfanylphenoxy)phenyl]piperazin-2-one Traditional Name: 1-[3-(methylaminomethyl)-4-[4-(methylthio)phenoxy]phenyl]piperazin-2-one Formula: C19H23N3O2S MolecularWeight: 357.46982

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNCC1=C(C=CC(=C1)N2CCNCC2=O)OC3=CC=C(C=C3)SC

Isomeric SMILES

CNCC1=C(C=CC(=C1)N2CCNCC2=O)OC3=CC=C(C=C3)SC

InChI

InChI=1S/C19H23N3O2S/c1-20-12-14-11-15(22-10-9-21-13-19(22)23)3-8-18(14)24-16-4-6-17(25-2)7-5-16/h3-8,11,20-21H,9-10,12-13H2,1-2H3