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

Systemtic Name: N-iodanyl-2-(3-methylsulfanylpiperazin-1-yl)-2-(4-propylphenyl)ethanamine Openeye Name: N-iodo-2-(3-methylsulfanylpiperazin-1-yl)-2-(4-propylphenyl)ethanamine CAS Name: N-iodo-2-[3-(methylthio)-1-piperazinyl]-2-(4-propylphenyl)ethanamine IUPAC Name: N-iodo-2-(3-methylsulfanylpiperazin-1-yl)-2-(4-propylphenyl)ethanamine Traditional Name: iodo-[2-[3-(methylthio)piperazino]-2-(4-propylphenyl)ethyl]amine Formula: C16H26IN3S MolecularWeight: 419.36721

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C(CNI)N2CCNC(C2)SC

Isomeric SMILES

CCCC1=CC=C(C=C1)C(CNI)N2CCNC(C2)SC

InChI

InChI=1S/C16H26IN3S/c1-3-4-13-5-7-14(8-6-13)15(11-19-17)20-10-9-18-16(12-20)21-2/h5-8,15-16,18-19H,3-4,9-12H2,1-2H3