4-(phenylmethylsulfanyl)-1-(4-phenylpiperazin-1-yl)butan-1-one

Systemtic Name: 4-(phenylmethylsulfanyl)-1-(4-phenylpiperazin-1-yl)butan-1-one Openeye Name: 4-benzylsulfanyl-1-(4-phenylpiperazin-1-yl)butan-1-one CAS Name: 4-(phenylmethylthio)-1-(4-phenyl-1-piperazinyl)-1-butanone IUPAC Name: 4-benzylsulfanyl-1-(4-phenylpiperazin-1-yl)butan-1-one Traditional Name: 4-(benzylthio)-1-(4-phenylpiperazino)butan-1-one Formula: C21H26N2OS MolecularWeight: 354.50894

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=O)CCCSCC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=O)CCCSCC3=CC=CC=C3

InChI

InChI=1S/C21H26N2OS/c24-21(12-7-17-25-18-19-8-3-1-4-9-19)23-15-13-22(14-16-23)20-10-5-2-6-11-20/h1-6,8-11H,7,12-18H2