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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=C(C=CC(=C1)SC)N2CCNC(C2)CC3=CC=CC=C3

Isomeric SMILES

CC(C)CC1=C(C=CC(=C1)SC)N2CCNC(C2)CC3=CC=CC=C3

InChI

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