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

Systemtic Name: 3-methoxy-1-[2-(2-methylpropyl)-4-methylsulfanyl-phenyl]piperazine Openeye Name: 1-(2-isobutyl-4-methylsulfanyl-phenyl)-3-methoxy-piperazine CAS Name: 3-methoxy-1-[2-(2-methylpropyl)-4-(methylthio)phenyl]piperazine IUPAC Name: 3-methoxy-1-[2-(2-methylpropyl)-4-methylsulfanylphenyl]piperazine Traditional Name: 1-[2-isobutyl-4-(methylthio)phenyl]-3-methoxy-piperazine Formula: C16H26N2OS MolecularWeight: 294.45544

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=C(C=CC(=C1)SC)N2CCNC(C2)OC

Isomeric SMILES

CC(C)CC1=C(C=CC(=C1)SC)N2CCNC(C2)OC

InChI

InChI=1S/C16H26N2OS/c1-12(2)9-13-10-14(20-4)5-6-15(13)18-8-7-17-16(11-18)19-3/h5-6,10,12,16-17H,7-9,11H2,1-4H3