2-[5-methoxy-2-(3-methylsulfanylpiperazin-1-yl)phenyl]phenol

Systemtic Name: 2-[5-methoxy-2-(3-methylsulfanylpiperazin-1-yl)phenyl]phenol Openeye Name: 2-[5-methoxy-2-(3-methylsulfanylpiperazin-1-yl)phenyl]phenol CAS Name: 2-[5-methoxy-2-[3-(methylthio)-1-piperazinyl]phenyl]phenol IUPAC Name: 2-[5-methoxy-2-(3-methylsulfanylpiperazin-1-yl)phenyl]phenol Traditional Name: 2-[5-methoxy-2-[3-(methylthio)piperazino]phenyl]phenol Formula: C18H22N2O2S MolecularWeight: 330.44448

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)N2CCNC(C2)SC)C3=CC=CC=C3O

Isomeric SMILES

COC1=CC(=C(C=C1)N2CCNC(C2)SC)C3=CC=CC=C3O

InChI

InChI=1S/C18H22N2O2S/c1-22-13-7-8-16(20-10-9-19-18(12-20)23-2)15(11-13)14-5-3-4-6-17(14)21/h3-8,11,18-19,21H,9-10,12H2,1-2H3