N-chloranyl-2-[4-(2-methylpropyl)phenyl]-2-(3-methylsulfanylpiperazin-1-yl)ethanamine

Systemtic Name: N-chloranyl-2-[4-(2-methylpropyl)phenyl]-2-(3-methylsulfanylpiperazin-1-yl)ethanamine Openeye Name: N-chloro-2-(4-isobutylphenyl)-2-(3-methylsulfanylpiperazin-1-yl)ethanamine CAS Name: N-chloro-2-[4-(2-methylpropyl)phenyl]-2-[3-(methylthio)-1-piperazinyl]ethanamine IUPAC Name: N-chloro-2-[4-(2-methylpropyl)phenyl]-2-(3-methylsulfanylpiperazin-1-yl)ethanamine Traditional Name: chloro-[2-(4-isobutylphenyl)-2-[3-(methylthio)piperazino]ethyl]amine Formula: C17H28ClN3S MolecularWeight: 341.94232

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)C(CNCl)N2CCNC(C2)SC

Isomeric SMILES

CC(C)CC1=CC=C(C=C1)C(CNCl)N2CCNC(C2)SC

InChI

InChI=1S/C17H28ClN3S/c1-13(2)10-14-4-6-15(7-5-14)16(11-20-18)21-9-8-19-17(12-21)22-3/h4-7,13,16-17,19-20H,8-12H2,1-3H3