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

Systemtic Name: 3-chloranyl-1-[2-(2-methylpropyl)-4-methylsulfanyl-phenyl]piperazine Openeye Name: 3-chloro-1-(2-isobutyl-4-methylsulfanyl-phenyl)piperazine CAS Name: 3-chloro-1-[2-(2-methylpropyl)-4-(methylthio)phenyl]piperazine IUPAC Name: 3-chloro-1-[2-(2-methylpropyl)-4-methylsulfanylphenyl]piperazine Traditional Name: 3-chloro-1-[2-isobutyl-4-(methylthio)phenyl]piperazine Formula: C15H23ClN2S MolecularWeight: 298.87452

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H23ClN2S/c1-11(2)8-12-9-13(19-3)4-5-14(12)18-7-6-17-15(16)10-18/h4-5,9,11,15,17H,6-8,10H2,1-3H3