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

Systemtic Name: 3-methylsulfanyl-1-[4-(phenylmethyl)-2-propyl-phenyl]piperazine Openeye Name: 1-(4-benzyl-2-propyl-phenyl)-3-methylsulfanyl-piperazine CAS Name: 3-(methylthio)-1-[4-(phenylmethyl)-2-propylphenyl]piperazine IUPAC Name: 1-(4-benzyl-2-propylphenyl)-3-methylsulfanylpiperazine Traditional Name: 1-(4-benzyl-2-propyl-phenyl)-3-(methylthio)piperazine Formula: C21H28N2S MolecularWeight: 340.52542

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1)CC2=CC=CC=C2)N3CCNC(C3)SC

Isomeric SMILES

CCCC1=C(C=CC(=C1)CC2=CC=CC=C2)N3CCNC(C3)SC

InChI

InChI=1S/C21H28N2S/c1-3-7-19-15-18(14-17-8-5-4-6-9-17)10-11-20(19)23-13-12-22-21(16-23)24-2/h4-6,8-11,15,21-22H,3,7,12-14,16H2,1-2H3