1-[2-(2-methylpropyl)-4-(phenylmethyl)phenyl]-3-methylsulfanyl-piperazine

Systemtic Name: 1-[2-(2-methylpropyl)-4-(phenylmethyl)phenyl]-3-methylsulfanyl-piperazine Openeye Name: 1-(4-benzyl-2-isobutyl-phenyl)-3-methylsulfanyl-piperazine CAS Name: 1-[2-(2-methylpropyl)-4-(phenylmethyl)phenyl]-3-(methylthio)piperazine IUPAC Name: 1-[4-benzyl-2-(2-methylpropyl)phenyl]-3-methylsulfanylpiperazine Traditional Name: 1-(4-benzyl-2-isobutyl-phenyl)-3-(methylthio)piperazine Formula: C22H30N2S MolecularWeight: 354.552

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=C(C=CC(=C1)CC2=CC=CC=C2)N3CCNC(C3)SC

Isomeric SMILES

CC(C)CC1=C(C=CC(=C1)CC2=CC=CC=C2)N3CCNC(C3)SC

InChI

InChI=1S/C22H30N2S/c1-17(2)13-20-15-19(14-18-7-5-4-6-8-18)9-10-21(20)24-12-11-23-22(16-24)25-3/h4-10,15,17,22-23H,11-14,16H2,1-3H3