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

Systemtic Name: 2-[3-(2-methylpropyl)-4-(3-methylsulfanylpiperazin-1-yl)phenyl]phenol Openeye Name: 2-[3-isobutyl-4-(3-methylsulfanylpiperazin-1-yl)phenyl]phenol CAS Name: 2-[3-(2-methylpropyl)-4-[3-(methylthio)-1-piperazinyl]phenyl]phenol IUPAC Name: 2-[3-(2-methylpropyl)-4-(3-methylsulfanylpiperazin-1-yl)phenyl]phenol Traditional Name: 2-[3-isobutyl-4-[3-(methylthio)piperazino]phenyl]phenol Formula: C21H28N2OS MolecularWeight: 356.52482

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=C(C=CC(=C1)C2=CC=CC=C2O)N3CCNC(C3)SC

Isomeric SMILES

CC(C)CC1=C(C=CC(=C1)C2=CC=CC=C2O)N3CCNC(C3)SC

InChI

InChI=1S/C21H28N2OS/c1-15(2)12-17-13-16(18-6-4-5-7-20(18)24)8-9-19(17)23-11-10-22-21(14-23)25-3/h4-9,13,15,21-22,24H,10-12,14H2,1-3H3