2-[[2-[4-(2-methylpropyl)phenyl]-2-(3-methylsulfanylpiperazin-1-yl)ethyl]amino]phenol

Systemtic Name: 2-[[2-[4-(2-methylpropyl)phenyl]-2-(3-methylsulfanylpiperazin-1-yl)ethyl]amino]phenol Openeye Name: 2-[[2-(4-isobutylphenyl)-2-(3-methylsulfanylpiperazin-1-yl)ethyl]amino]phenol CAS Name: 2-[[2-[4-(2-methylpropyl)phenyl]-2-[3-(methylthio)-1-piperazinyl]ethyl]amino]phenol IUPAC Name: 2-[[2-[4-(2-methylpropyl)phenyl]-2-(3-methylsulfanylpiperazin-1-yl)ethyl]amino]phenol Traditional Name: 2-[[2-(4-isobutylphenyl)-2-[3-(methylthio)piperazino]ethyl]amino]phenol Formula: C23H33N3OS MolecularWeight: 399.59262

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)C(CNC2=CC=CC=C2O)N3CCNC(C3)SC

Isomeric SMILES

CC(C)CC1=CC=C(C=C1)C(CNC2=CC=CC=C2O)N3CCNC(C3)SC

InChI

InChI=1S/C23H33N3OS/c1-17(2)14-18-8-10-19(11-9-18)21(26-13-12-24-23(16-26)28-3)15-25-20-6-4-5-7-22(20)27/h4-11,17,21,23-25,27H,12-16H2,1-3H3