2-[4-[1-(3-methoxypiperazin-1-yl)-2-(methylsulfanylamino)ethyl]phenyl]phenol

Systemtic Name: 2-[4-[1-(3-methoxypiperazin-1-yl)-2-(methylsulfanylamino)ethyl]phenyl]phenol Openeye Name: 2-[4-[1-(3-methoxypiperazin-1-yl)-2-(methylsulfanylamino)ethyl]phenyl]phenol CAS Name: N-[2-[4-(2-hydroxyphenyl)phenyl]-2-(3-methoxy-1-piperazinyl)ethyl]methanesulfenamide IUPAC Name: 2-[4-[1-(3-methoxypiperazin-1-yl)-2-(methylsulfanylamino)ethyl]phenyl]phenol Traditional Name: 2-[4-[1-(3-methoxypiperazino)-2-[(methylthio)amino]ethyl]phenyl]phenol Formula: C20H27N3O2S MolecularWeight: 373.51228

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Descriptors Computed from Structure

Canonical SMILES:

COC1CN(CCN1)C(CNSC)C2=CC=C(C=C2)C3=CC=CC=C3O

Isomeric SMILES

COC1CN(CCN1)C(CNSC)C2=CC=C(C=C2)C3=CC=CC=C3O

InChI

InChI=1S/C20H27N3O2S/c1-25-20-14-23(12-11-21-20)18(13-22-26-2)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