2-(3-fluoranylpiperazin-1-yl)-2-[4-(2-methylpropyl)phenyl]-N-methylsulfanyl-ethanamine

Systemtic Name: 2-(3-fluoranylpiperazin-1-yl)-2-[4-(2-methylpropyl)phenyl]-N-methylsulfanyl-ethanamine Openeye Name: 2-(3-fluoropiperazin-1-yl)-2-(4-isobutylphenyl)-N-methylsulfanyl-ethanamine CAS Name: N-[2-(3-fluoro-1-piperazinyl)-2-[4-(2-methylpropyl)phenyl]ethyl]methanesulfenamide IUPAC Name: 2-(3-fluoropiperazin-1-yl)-2-[4-(2-methylpropyl)phenyl]-N-methylsulfanylethanamine Traditional Name: [2-(3-fluoropiperazino)-2-(4-isobutylphenyl)ethyl]-(methylthio)amine Formula: C17H28FN3S MolecularWeight: 325.487723

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)C(CNSC)N2CCNC(C2)F

Isomeric SMILES

CC(C)CC1=CC=C(C=C1)C(CNSC)N2CCNC(C2)F

InChI

InChI=1S/C17H28FN3S/c1-13(2)10-14-4-6-15(7-5-14)16(11-20-22-3)21-9-8-19-17(18)12-21/h4-7,13,16-17,19-20H,8-12H2,1-3H3