N-iodanyl-2-(4-methylphenyl)-2-(3-methylsulfanylpiperazin-1-yl)ethanamine

Systemtic Name: N-iodanyl-2-(4-methylphenyl)-2-(3-methylsulfanylpiperazin-1-yl)ethanamine Openeye Name: N-iodo-2-(3-methylsulfanylpiperazin-1-yl)-2-(p-tolyl)ethanamine CAS Name: N-iodo-2-(4-methylphenyl)-2-[3-(methylthio)-1-piperazinyl]ethanamine IUPAC Name: N-iodo-2-(4-methylphenyl)-2-(3-methylsulfanylpiperazin-1-yl)ethanamine Traditional Name: iodo-[2-[3-(methylthio)piperazino]-2-(p-tolyl)ethyl]amine Formula: C14H22IN3S MolecularWeight: 391.31405

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H22IN3S/c1-11-3-5-12(6-4-11)13(9-17-15)18-8-7-16-14(10-18)19-2/h3-6,13-14,16-17H,7-10H2,1-2H3