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

Systemtic Name: 2-[[2-(3-methylsulfanylpiperazin-1-yl)-2-(4-propylphenyl)ethyl]amino]phenol Openeye Name: 2-[[2-(3-methylsulfanylpiperazin-1-yl)-2-(4-propylphenyl)ethyl]amino]phenol CAS Name: 2-[[2-[3-(methylthio)-1-piperazinyl]-2-(4-propylphenyl)ethyl]amino]phenol IUPAC Name: 2-[[2-(3-methylsulfanylpiperazin-1-yl)-2-(4-propylphenyl)ethyl]amino]phenol Traditional Name: 2-[[2-[3-(methylthio)piperazino]-2-(4-propylphenyl)ethyl]amino]phenol Formula: C22H31N3OS MolecularWeight: 385.56604

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C(CNC2=CC=CC=C2O)N3CCNC(C3)SC

Isomeric SMILES

CCCC1=CC=C(C=C1)C(CNC2=CC=CC=C2O)N3CCNC(C3)SC

InChI

InChI=1S/C22H31N3OS/c1-3-6-17-9-11-18(12-10-17)20(25-14-13-23-22(16-25)27-2)15-24-19-7-4-5-8-21(19)26/h4-5,7-12,20,22-24,26H,3,6,13-16H2,1-2H3