N'-[3-[methyl-(4-methylsulfanylphenyl)amino]propyl]propane-1,3-diamine

Systemtic Name: N'-[3-[methyl-(4-methylsulfanylphenyl)amino]propyl]propane-1,3-diamine Openeye Name: N'-[3-(N-methyl-4-methylsulfanyl-anilino)propyl]propane-1,3-diamine CAS Name: N'-[3-[N-methyl-4-(methylthio)anilino]propyl]propane-1,3-diamine IUPAC Name: N'-[3-(N-methyl-4-methylsulfanylanilino)propyl]propane-1,3-diamine Traditional Name: 3-(3-aminopropylamino)propyl-methyl-[4-(methylthio)phenyl]amine Formula: C14H25N3S MolecularWeight: 267.4334

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCNCCCN)C1=CC=C(C=C1)SC

Isomeric SMILES

CN(CCCNCCCN)C1=CC=C(C=C1)SC

InChI

InChI=1S/C14H25N3S/c1-17(12-4-11-16-10-3-9-15)13-5-7-14(18-2)8-6-13/h5-8,16H,3-4,9-12,15H2,1-2H3