N,N'-bis(2-azanylethyl)-2-[(4-isothiocyanatophenyl)methyl]propane-1,3-diamine

Systemtic Name: N,N'-bis(2-azanylethyl)-2-[(4-isothiocyanatophenyl)methyl]propane-1,3-diamine Openeye Name: N,N'-bis(2-aminoethyl)-2-[(4-isothiocyanatophenyl)methyl]propane-1,3-diamine CAS Name: N,N'-bis(2-aminoethyl)-2-[(4-isothiocyanatophenyl)methyl]propane-1,3-diamine IUPAC Name: N,N'-bis(2-aminoethyl)-2-[(4-isothiocyanatophenyl)methyl]propane-1,3-diamine Traditional Name: 2-aminoethyl-[2-[(2-aminoethylamino)methyl]-3-(4-isothiocyanatophenyl)propyl]amine Formula: C15H25N5S MolecularWeight: 307.4575

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(CNCCN)CNCCN)N=C=S

Isomeric SMILES

C1=CC(=CC=C1CC(CNCCN)CNCCN)N=C=S

InChI

InChI=1S/C15H25N5S/c16-5-7-18-10-14(11-19-8-6-17)9-13-1-3-15(4-2-13)20-12-21/h1-4,14,18-19H,5-11,16-17H2