1-[5-[4-(2-fluoranylethyl)piperazin-1-yl]-2-(4-methylsulfanylphenoxy)phenyl]-N-methyl-methanamine

Systemtic Name: 1-[5-[4-(2-fluoranylethyl)piperazin-1-yl]-2-(4-methylsulfanylphenoxy)phenyl]-N-methyl-methanamine Openeye Name: 1-[5-[4-(2-fluoroethyl)piperazin-1-yl]-2-(4-methylsulfanylphenoxy)phenyl]-N-methyl-methanamine CAS Name: 1-[5-[4-(2-fluoroethyl)-1-piperazinyl]-2-[4-(methylthio)phenoxy]phenyl]-N-methylmethanamine IUPAC Name: 1-[5-[4-(2-fluoroethyl)piperazin-1-yl]-2-(4-methylsulfanylphenoxy)phenyl]-N-methylmethanamine Traditional Name: [5-[4-(2-fluoroethyl)piperazino]-2-[4-(methylthio)phenoxy]benzyl]-methyl-amine Formula: C21H28FN3OS MolecularWeight: 389.529923

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Descriptors Computed from Structure

Canonical SMILES:

CNCC1=C(C=CC(=C1)N2CCN(CC2)CCF)OC3=CC=C(C=C3)SC

Isomeric SMILES

CNCC1=C(C=CC(=C1)N2CCN(CC2)CCF)OC3=CC=C(C=C3)SC

InChI

InChI=1S/C21H28FN3OS/c1-23-16-17-15-18(25-13-11-24(10-9-22)12-14-25)3-8-21(17)26-19-4-6-20(27-2)7-5-19/h3-8,15,23H,9-14,16H2,1-2H3