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

Systemtic Name: 2-[4-[1-(3-ethoxypiperazin-1-yl)-2-(methylsulfanylamino)ethyl]phenyl]phenol Openeye Name: 2-[4-[1-(3-ethoxypiperazin-1-yl)-2-(methylsulfanylamino)ethyl]phenyl]phenol CAS Name: N-[2-(3-ethoxy-1-piperazinyl)-2-[4-(2-hydroxyphenyl)phenyl]ethyl]methanesulfenamide IUPAC Name: 2-[4-[1-(3-ethoxypiperazin-1-yl)-2-(methylsulfanylamino)ethyl]phenyl]phenol Traditional Name: 2-[4-[1-(3-ethoxypiperazino)-2-[(methylthio)amino]ethyl]phenyl]phenol Formula: C21H29N3O2S MolecularWeight: 387.53886

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1CN(CCN1)C(CNSC)C2=CC=C(C=C2)C3=CC=CC=C3O

Isomeric SMILES

CCOC1CN(CCN1)C(CNSC)C2=CC=C(C=C2)C3=CC=CC=C3O

InChI

InChI=1S/C21H29N3O2S/c1-3-26-21-15-24(13-12-22-21)19(14-23-27-2)17-10-8-16(9-11-17)18-6-4-5-7-20(18)25/h4-11,19,21-23,25H,3,12-15H2,1-2H3