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

Systemtic Name: 2-[4-[2-(methoxyamino)-1-(3-methylsulfanylpiperazin-1-yl)ethyl]phenyl]phenol Openeye Name: 2-[4-[2-(methoxyamino)-1-(3-methylsulfanylpiperazin-1-yl)ethyl]phenyl]phenol CAS Name: 2-[4-[2-(methoxyamino)-1-[3-(methylthio)-1-piperazinyl]ethyl]phenyl]phenol IUPAC Name: 2-[4-[2-(methoxyamino)-1-(3-methylsulfanylpiperazin-1-yl)ethyl]phenyl]phenol Traditional Name: 2-[4-[2-(methoxyamino)-1-[3-(methylthio)piperazino]ethyl]phenyl]phenol Formula: C20H27N3O2S MolecularWeight: 373.51228

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27N3O2S/c1-25-22-13-18(23-12-11-21-20(14-23)26-2)16-9-7-15(8-10-16)17-5-3-4-6-19(17)24/h3-10,18,20-22,24H,11-14H2,1-2H3